Property:Molfile

Purpose

Contains the Molfile V3000

Datatype

String

Usage202

Filter<p>The <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Property_page/Filter">search filter</a> allows the inclusion of <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Query_expressions">query expressions</a> such as <code>~</code> or <code>!</code>. The selected <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Query_engine">query engine</a> might also support case insensitive matching or other short expressions like:</p><ul><li><code>in:</code> result should include the term, e.g. '<code>in:Foo</code>'</li></ul><ul><li><code>not:</code> result should to not include the term, e.g. '<code>not:Bar</code>'</li></ul>

Showing 20 pages using this property.

1

Molecule collection 100481 +

-INDIGO-11102215102D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 21 23 0 0 0 M V30 BEGIN ATOM M V30 1 C 3.05985 -4.92507 0.0 0 M V30 2 C 4.79015 -4.92459 0.0 0 M V30 3 C 3.92664 -4.42497 0.0 0 M V30 4 N 4.79015 -5.92553 0.0 0 M V30 5 C 3.05985 -5.93002 0.0 0 M V30 6 C 3.92882 -6.42503 0.0 0 M V30 7 C 6.75985 -2.90007 0.0 0 M V30 8 C 8.49015 -2.89959 0.0 0 M V30 9 C 7.62664 -2.39997 0.0 0 M V30 10 C 8.49015 -3.90053 0.0 0 M V30 11 C 6.75985 -3.90502 0.0 0 M V30 12 N 7.62882 -4.40003 0.0 0 M V30 13 R# 2.19382 -4.42507 0.0 0 RGROUPS=(1 1) M V30 14 R# 7.62664 -1.39997 0.0 0 RGROUPS=(1 1) M V30 15 Ru 6.85 -6.2 0.0 0 M V30 16 Cl 9.15 -5.55 0.0 0 M V30 17 Cl 5.675 -7.425 0.0 0 M V30 18 C 7.10882 -7.16593 0.0 0 M V30 19 C 7.71603 -6.7 0.0 0 M V30 20 O 7.62671 -8.02303 0.0 0 M V30 21 O 8.74102 -6.675 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 1 2 11 M V30 14 1 1 13 M V30 15 1 9 14 M V30 16 8 15 4 M V30 17 8 15 12 M V30 18 8 15 17 M V30 19 8 15 16 M V30 20 8 15 18 M V30 21 8 15 19 M V30 22 3 18 20 M V30 23 3 19 21 M V30 END BOND M V30 END CTAB M END +

100482 +

-INDIGO-10312214112D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 29 35 0 0 0 M V30 BEGIN ATOM M V30 1 C 5.28906 -3.60311 0.0 0 M V30 2 C 6.95724 -3.72705 0.0 0 M V30 3 C 6.05009 -3.18532 0.0 0 M V30 4 N 7.01473 -4.68431 0.0 0 M V30 5 C 5.29875 -4.48458 0.0 0 M V30 6 C 6.15259 -5.05199 0.0 0 M V30 7 C 7.70229 -2.49337 0.0 0 M V30 8 C 9.21757 -2.46575 0.0 0 M V30 9 C 8.429 -2.0659 0.0 0 M V30 10 C 9.34153 -3.42541 0.0 0 M V30 11 C 7.6921 -3.34423 0.0 0 M V30 12 N 8.63032 -3.94833 0.0 0 M V30 13 C 6.03646 -6.16906 0.0 0 M V30 14 N 7.5169 -5.95752 0.0 0 M V30 15 C 6.85806 -5.65209 0.0 0 M V30 16 C 7.46425 -7.04146 0.0 0 M V30 17 C 5.9907 -7.07931 0.0 0 M V30 18 C 6.69359 -7.49646 0.0 0 M V30 19 C 8.00449 -7.3762 0.0 0 M V30 20 C 9.53398 -7.94493 0.0 0 M V30 21 N 8.78974 -7.06142 0.0 0 M V30 22 C 8.98715 -8.9089 0.0 0 M V30 23 C 7.70335 -8.20389 0.0 0 M V30 24 C 8.09857 -8.88242 0.0 0 M V30 25 Ru 8.52507 -5.36896 0.0 0 M V30 26 O 9.35344 -4.62165 0.0 0 M V30 27 O 9.33848 -6.04063 0.0 0 M V30 28 C 10.0561 -5.31072 0.0 0 M V30 29 O 11.1079 -5.29505 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 2 15 13 M V30 14 2 16 14 M V30 15 1 13 17 M V30 16 1 14 15 M V30 17 2 17 18 M V30 18 1 18 16 M V30 19 2 21 19 M V30 20 2 22 20 M V30 21 1 19 23 M V30 22 1 20 21 M V30 23 2 23 24 M V30 24 1 24 22 M V30 25 1 2 11 M V30 26 1 16 19 M V30 27 10 4 25 M V30 28 10 12 25 M V30 29 10 25 14 M V30 30 10 25 21 M V30 31 1 25 26 M V30 32 1 25 27 M V30 33 1 26 28 M V30 34 1 27 28 M V30 35 2 28 29 M V30 END BOND M V30 END CTAB M END +

100483 +

-INDIGO-10312214112D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 45 54 0 0 0 M V30 BEGIN ATOM M V30 1 C 4.5939 -7.21624 0.0 0 M V30 2 N 6.22301 -7.42701 0.0 0 M V30 3 C 5.37505 -6.89206 0.0 0 M V30 4 C 6.04607 -8.16708 0.0 0 M V30 5 C 4.55182 -8.01212 0.0 0 M V30 6 C 5.20614 -8.47479 0.0 0 M V30 7 C 4.56801 -4.8806 0.0 0 M V30 8 C 6.21918 -5.11346 0.0 0 M V30 9 C 5.36782 -4.53644 0.0 0 M V30 10 N 6.21781 -5.89062 0.0 0 M V30 11 C 4.5385 -5.69446 0.0 0 M V30 12 C 5.29697 -6.22729 0.0 0 M V30 13 C 7.37746 -3.97403 0.0 0 M V30 14 C 8.82236 -4.15164 0.0 0 M V30 15 C 8.15871 -3.67951 0.0 0 M V30 16 C 8.79582 -5.05257 0.0 0 M V30 17 C 7.20267 -4.78258 0.0 0 M V30 18 N 8.00331 -5.46537 0.0 0 M V30 19 C 9.45142 -5.12907 0.0 0 M V30 20 C 10.9379 -5.0219 0.0 0 M V30 21 C 10.2124 -4.69048 0.0 0 M V30 22 C 11.016 -5.84305 0.0 0 M V30 23 N 9.33561 -5.94737 0.0 0 M V30 24 C 10.2286 -6.38045 0.0 0 M V30 25 C 11.7576 -6.16092 0.0 0 M V30 26 C 11.848 -6.96933 0.0 0 M V30 27 C 10.2465 -7.17146 0.0 0 M V30 28 C 11.1394 -7.51942 0.0 0 M V30 29 C 9.80363 -8.66823 0.0 0 M V30 30 C 11.5735 -8.95413 0.0 0 M V30 31 C 10.766 -8.31498 0.0 0 M V30 32 C 11.4486 -9.95422 0.0 0 M V30 33 C 9.69538 -9.73392 0.0 0 M V30 34 C 10.5249 -10.3499 0.0 0 M V30 35 C 7.26266 -9.12334 0.0 0 M V30 36 C 8.85427 -9.64062 0.0 0 M V30 37 C 8.29476 -8.89814 0.0 0 M V30 38 C 8.51841 -10.5666 0.0 0 M V30 39 C 6.95825 -10.058 0.0 0 M V30 40 C 7.59514 -10.7648 0.0 0 M V30 41 Ru 7.7098 -6.71468 0.0 0 M V30 42 P 8.86311 -7.83342 0.0 0 M V30 43 N 7.28155 -7.5694 0.0 0 M V30 44 C 6.8533 -8.42412 0.0 0 M V30 45 C 6.42505 -9.27884 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 2 15 13 M V30 14 2 16 14 M V30 15 1 13 17 M V30 16 1 14 15 M V30 17 2 17 18 M V30 18 1 18 16 M V30 19 1 21 19 M V30 20 1 22 20 M V30 21 2 19 23 M V30 22 2 20 21 M V30 23 1 23 24 M V30 24 2 24 22 M V30 25 2 26 25 M V30 26 1 24 27 M V30 27 1 25 22 M V30 28 2 27 28 M V30 29 1 28 26 M V30 30 2 31 29 M V30 31 2 32 30 M V30 32 1 29 33 M V30 33 1 30 31 M V30 34 2 33 34 M V30 35 1 34 32 M V30 36 2 37 35 M V30 37 2 38 36 M V30 38 1 35 39 M V30 39 1 36 37 M V30 40 2 39 40 M V30 41 1 40 38 M V30 42 1 8 17 M V30 43 1 12 3 M V30 44 1 42 37 M V30 45 1 42 29 M V30 46 10 41 43 M V30 47 3 43 44 M V30 48 1 44 45 M V30 49 1 42 27 M V30 50 10 2 41 M V30 51 10 41 10 M V30 52 10 41 18 M V30 53 10 41 23 M V30 54 10 41 42 M V30 END BOND M V30 END CTAB M END

100486 +

-INDIGO-10312214132D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 37 45 0 0 0 M V30 BEGIN ATOM M V30 1 C 7.01072 -3.66709 0.0 0 M V30 2 C 8.46567 -3.66409 0.0 0 M V30 3 C 7.77046 -3.26885 0.0 0 M V30 4 C 8.55261 -4.48498 0.0 0 M V30 5 C 6.99831 -4.48834 0.0 0 M V30 6 N 8.04613 -4.95142 0.0 0 M V30 7 C 4.53924 -4.91621 0.0 0 M V30 8 C 6.15138 -4.95901 0.0 0 M V30 9 C 5.26668 -4.50978 0.0 0 M V30 10 N 6.29691 -5.77504 0.0 0 M V30 11 C 4.54321 -5.76102 0.0 0 M V30 12 C 5.35996 -6.26299 0.0 0 M V30 13 C 6.41084 -7.74028 0.0 0 M V30 14 C 7.98196 -8.24949 0.0 0 M V30 15 N 7.458 -7.41393 0.0 0 M V30 16 C 7.7065 -8.97042 0.0 0 M V30 17 C 6.31664 -8.77002 0.0 0 M V30 18 C 7.02114 -9.25145 0.0 0 M V30 19 C 8.64747 -8.35517 0.0 0 M V30 20 C 10.2569 -8.37475 0.0 0 M V30 21 N 9.22788 -7.77097 0.0 0 M V30 22 C 10.172 -9.41607 0.0 0 M V30 23 C 8.73807 -9.30161 0.0 0 M V30 24 C 9.37061 -9.77608 0.0 0 M V30 25 N 10.1295 -6.17025 0.0 0 M V30 26 C 11.7911 -5.62804 0.0 0 M V30 27 C 10.8612 -5.47731 0.0 0 M V30 28 C 11.9372 -6.45321 0.0 0 M V30 29 C 10.423 -6.76451 0.0 0 M V30 30 C 11.2893 -6.96356 0.0 0 M V30 31 C 9.75728 -3.84639 0.0 0 M V30 32 C 11.3568 -3.66502 0.0 0 M V30 33 C 10.5774 -3.33632 0.0 0 M V30 34 C 11.4448 -4.44688 0.0 0 M V30 35 N 9.75639 -4.75933 0.0 0 M V30 36 C 10.7762 -4.92966 0.0 0 M V30 37 Ru 8.40385 -6.13482 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 2 15 13 M V30 14 2 16 14 M V30 15 1 13 17 M V30 16 1 14 15 M V30 17 2 17 18 M V30 18 1 18 16 M V30 19 2 21 19 M V30 20 2 22 20 M V30 21 1 19 23 M V30 22 1 20 21 M V30 23 2 23 24 M V30 24 1 24 22 M V30 25 2 27 25 M V30 26 2 28 26 M V30 27 1 25 29 M V30 28 1 26 27 M V30 29 2 29 30 M V30 30 1 30 28 M V30 31 2 33 31 M V30 32 2 34 32 M V30 33 1 31 35 M V30 34 1 32 33 M V30 35 2 35 36 M V30 36 1 36 34 M V30 37 1 8 5 M V30 38 1 14 19 M V30 39 1 27 36 M V30 40 10 10 37 M V30 41 10 6 37 M V30 42 10 37 35 M V30 43 10 25 37 M V30 44 10 21 37 M V30 45 10 15 37 M V30 END BOND M V30 END CTAB M END

100489 +

-INDIGO-09022208302D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 39 42 0 0 0 M V30 BEGIN ATOM M V30 1 C 12.085 -2.83481 0.0 0 M V30 2 C 12.0855 -4.56511 0.0 0 M V30 3 C 12.5851 -3.7016 0.0 0 M V30 4 C 11.0846 -4.56511 0.0 0 M V30 5 C 11.0801 -2.83481 0.0 0 M V30 6 C 10.5851 -3.70378 0.0 0 M V30 7 C 7.76004 -2.75981 0.0 0 M V30 8 C 7.76052 -4.49011 0.0 0 M V30 9 C 8.26015 -3.6266 0.0 0 M V30 10 C 6.75958 -4.49011 0.0 0 M V30 11 C 6.75509 -2.75981 0.0 0 M V30 12 C 6.26008 -3.62878 0.0 0 M V30 13 C 9.91004 -6.55981 0.0 0 M V30 14 C 9.91052 -8.29011 0.0 0 M V30 15 C 10.4101 -7.4266 0.0 0 M V30 16 C 8.90958 -8.29011 0.0 0 M V30 17 C 8.90509 -6.55981 0.0 0 M V30 18 C 8.41008 -7.42878 0.0 0 M V30 19 P 8.26004 -1.89378 0.0 0 M V30 20 P 6.25958 -5.35614 0.0 0 M V30 21 P 7.41008 -7.42878 0.0 0 M V30 22 P 11.4101 -7.4266 0.0 0 M V30 23 P 12.7926 -5.27222 0.0 0 M V30 24 P 10.373 -2.1277 0.0 0 M V30 25 Re 7.275 -6.175 0.0 0 M V30 26 Re 12.175 -6.325 0.0 0 M V30 27 Re 9.25 -2.175 0.0 0 M V30 28 C 7.775 -5.30897 0.0 0 M V30 29 C 8.275 -6.175 0.0 0 M V30 30 O 8.75 -4.68397 0.0 0 M V30 31 O 9.0 -5.71603 0.0 0 M V30 32 C 11.175 -6.325 0.0 0 M V30 33 C 11.4679 -5.61789 0.0 0 M V30 34 O 10.7517 -5.12697 0.0 0 M V30 35 O 10.25 -5.75897 0.0 0 M V30 36 C 8.99118 -3.14093 0.0 0 M V30 37 C 9.75 -3.04103 0.0 0 M V30 38 O 9.95 -3.88205 0.0 0 M V30 39 O 8.85026 -3.82474 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 2 15 13 M V30 14 2 16 14 M V30 15 1 13 17 M V30 16 1 14 15 M V30 17 2 17 18 M V30 18 1 18 16 M V30 19 1 7 19 M V30 20 1 10 20 M V30 21 1 18 21 M V30 22 1 15 22 M V30 23 1 2 23 M V30 24 1 5 24 M V30 25 8 25 20 M V30 26 8 25 21 M V30 27 8 26 22 M V30 28 8 26 23 M V30 29 8 27 24 M V30 30 8 27 19 M V30 31 1 25 28 M V30 32 1 25 29 M V30 33 3 28 30 M V30 34 3 29 31 M V30 35 1 26 32 M V30 36 1 26 33 M V30 37 3 33 34 M V30 38 3 32 35 M V30 39 1 27 36 M V30 40 1 27 37 M V30 41 3 37 38 M V30 42 3 36 39 M V30 END BOND M V30 END CTAB M END

100491 +

-INDIGO-10312214152D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 53 62 0 0 0 M V30 BEGIN ATOM M V30 1 N 6.07411 -3.78312 0.0 0 M V30 2 C 5.29441 -3.19877 0.0 0 M V30 3 C 5.58427 -2.2377 0.0 0 M V30 4 C 6.56437 -2.24075 0.0 0 M V30 5 C 6.85005 -3.17716 0.0 0 M V30 6 N 4.55171 -5.33364 0.0 0 M V30 7 C 3.93563 -6.12599 0.0 0 M V30 8 C 3.00303 -5.81618 0.0 0 M V30 9 C 3.0223 -4.81566 0.0 0 M V30 10 C 3.96864 -4.53499 0.0 0 M V30 11 N 7.44663 -5.24136 0.0 0 M V30 12 C 8.07167 -4.45934 0.0 0 M V30 13 C 8.99771 -4.76637 0.0 0 M V30 14 C 8.9908 -5.7466 0.0 0 M V30 15 C 8.03854 -6.03291 0.0 0 M V30 16 N 5.97015 -6.81472 0.0 0 M V30 17 C 6.76346 -7.36764 0.0 0 M V30 18 C 6.51174 -8.31994 0.0 0 M V30 19 C 5.52651 -8.35744 0.0 0 M V30 20 C 5.20806 -7.42465 0.0 0 M V30 21 C 4.28935 -3.51867 0.0 0 M V30 22 C 4.22835 -7.13806 0.0 0 M V30 23 C 7.74609 -7.03211 0.0 0 M V30 24 C 7.78909 -3.4869 0.0 0 M V30 25 C 3.58136 -2.81245 0.0 0 M V30 26 C 8.50874 -2.79257 0.0 0 M V30 27 C 8.46869 -7.72338 0.0 0 M V30 28 C 3.52017 -7.84409 0.0 0 M V30 29 C 3.07392 -9.51586 0.0 0 M V30 30 N 3.77954 -8.81061 0.0 0 CHG=1 M V30 31 C 2.10691 -9.25744 0.0 0 M V30 32 C 2.54929 -7.58464 0.0 0 M V30 33 C 1.84671 -8.29636 0.0 0 M V30 34 C 10.1405 -8.16963 0.0 0 M V30 35 N 9.43521 -7.46401 0.0 0 CHG=1 M V30 36 C 9.88204 -9.13664 0.0 0 M V30 37 C 8.20924 -8.69426 0.0 0 M V30 38 C 8.92095 -9.39684 0.0 0 M V30 39 C 8.95499 -1.1208 0.0 0 M V30 40 N 8.24937 -1.82605 0.0 0 CHG=1 M V30 41 C 9.922 -1.37921 0.0 0 M V30 42 C 9.47962 -3.05202 0.0 0 M V30 43 C 10.1822 -2.3403 0.0 0 M V30 44 C 1.90959 -2.3662 0.0 0 M V30 45 N 2.61484 -3.07182 0.0 0 CHG=1 M V30 46 C 2.16801 -1.39919 0.0 0 M V30 47 C 3.84081 -1.84157 0.0 0 M V30 48 C 3.12909 -1.13899 0.0 0 M V30 49 C 4.74548 -9.06937 0.0 0 M V30 50 C 2.35608 -4.03776 0.0 0 M V30 51 C 7.28343 -1.56729 0.0 0 M V30 52 C 9.69397 -6.49807 0.0 0 M V30 53 Co 5.9 -5.225 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 1 2 M V30 2 1 2 3 M V30 3 2 3 4 M V30 4 1 4 5 M V30 5 1 5 1 M V30 6 1 6 7 M V30 7 1 7 8 M V30 8 2 8 9 M V30 9 1 9 10 M V30 10 1 10 6 M V30 11 1 11 12 M V30 12 2 12 13 M V30 13 1 13 14 M V30 14 2 14 15 M V30 15 1 15 11 M V30 16 1 16 17 M V30 17 1 17 18 M V30 18 2 18 19 M V30 19 1 19 20 M V30 20 2 20 16 M V30 21 1 2 21 M V30 22 2 21 10 M V30 23 2 7 22 M V30 24 1 22 20 M V30 25 2 17 23 M V30 26 1 23 15 M V30 27 1 12 24 M V30 28 2 24 5 M V30 29 1 21 25 M V30 30 1 24 26 M V30 31 1 23 27 M V30 32 1 22 28 M V30 33 2 30 28 M V30 34 2 31 29 M V30 35 1 28 32 M V30 36 1 29 30 M V30 37 2 32 33 M V30 38 1 33 31 M V30 39 2 35 27 M V30 40 2 36 34 M V30 41 1 27 37 M V30 42 1 34 35 M V30 43 2 37 38 M V30 44 1 38 36 M V30 45 2 40 26 M V30 46 2 41 39 M V30 47 1 26 42 M V30 48 1 39 40 M V30 49 2 42 43 M V30 50 1 43 41 M V30 51 2 45 25 M V30 52 2 46 44 M V30 53 1 25 47 M V30 54 1 44 45 M V30 55 2 47 48 M V30 56 1 48 46 M V30 57 1 30 49 M V30 58 1 45 50 M V30 59 1 40 51 M V30 60 1 35 52 M V30 61 10 53 6 M V30 62 10 53 11 M V30 END BOND M V30 END CTAB M END

100492 +

-INDIGO-10312214162D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 74 90 0 0 0 M V30 BEGIN ATOM M V30 1 C 4.24649 -4.92114 0.0 0 M V30 2 C 4.26312 -3.08472 0.0 0 M V30 3 C 3.72673 -4.00876 0.0 0 M V30 4 C 5.30954 -3.08108 0.0 0 M V30 5 C 5.2866 -4.92558 0.0 0 M V30 6 C 5.82793 -3.99533 0.0 0 M V30 7 C 4.22835 -8.54028 0.0 0 M V30 8 C 4.23552 -6.74114 0.0 0 M V30 9 C 3.71404 -7.61045 0.0 0 M V30 10 C 5.27242 -6.7538 0.0 0 M V30 11 C 5.26579 -8.56667 0.0 0 M V30 12 C 5.79276 -7.66827 0.0 0 M V30 13 O 5.80717 -5.83989 0.0 0 M V30 14 C 3.73166 -5.81834 0.0 0 M V30 15 C 2.94845 -6.41891 0.0 0 M V30 16 C 2.95149 -5.161 0.0 0 M V30 17 C 3.69504 -2.23382 0.0 0 M V30 18 C 4.56843 -1.62503 0.0 0 M V30 19 C 3.07473 -1.37839 0.0 0 M V30 20 C 2.82636 -2.85309 0.0 0 M V30 21 C 3.62202 -9.3932 0.0 0 M V30 22 C 2.97315 -10.2168 0.0 0 M V30 23 C 4.46847 -10.0297 0.0 0 M V30 24 C 2.77225 -8.73768 0.0 0 M V30 25 C 6.98099 -3.98195 0.0 0 M V30 26 C 6.94919 -7.65896 0.0 0 M V30 27 C 8.21239 -6.91219 0.0 0 M V30 28 C 7.36837 -6.91789 0.0 0 M V30 29 N 8.70777 -7.54436 0.0 0 M V30 30 C 7.38651 -8.41372 0.0 0 M V30 31 C 8.28406 -8.34899 0.0 0 M V30 32 C 8.34292 -3.24299 0.0 0 M V30 33 C 7.41309 -3.19465 0.0 0 M V30 34 N 8.80523 -4.06517 0.0 0 M V30 35 C 7.43398 -4.74116 0.0 0 M V30 36 C 8.3071 -4.72458 0.0 0 M V30 37 C 8.80839 -8.98535 0.0 0 M V30 38 C 10.2587 -9.41929 0.0 0 M V30 39 N 9.76999 -8.72023 0.0 0 M V30 40 C 10.0388 -10.1609 0.0 0 M V30 41 C 8.63155 -9.80295 0.0 0 M V30 42 C 9.24261 -10.3971 0.0 0 M V30 43 C 11.1357 -9.30521 0.0 0 M V30 44 C 12.4319 -8.6033 0.0 0 M V30 45 N 11.4404 -8.57307 0.0 0 M V30 46 C 12.8026 -9.32509 0.0 0 M V30 47 C 11.5559 -10.0678 0.0 0 M V30 48 C 12.4066 -10.056 0.0 0 M V30 49 C 12.9811 -7.94142 0.0 0 M V30 50 C 13.324 -6.53445 0.0 0 M V30 51 N 12.605 -7.17276 0.0 0 M V30 52 C 14.1722 -6.76068 0.0 0 M V30 53 C 13.8101 -8.18772 0.0 0 M V30 54 C 14.4023 -7.57668 0.0 0 M V30 55 C 8.8684 -2.57269 0.0 0 M V30 56 C 9.28173 -1.10086 0.0 0 M V30 57 C 8.66665 -1.72778 0.0 0 M V30 58 C 10.1138 -1.32319 0.0 0 M V30 59 N 9.87805 -2.82324 0.0 0 M V30 60 C 10.3599 -2.08713 0.0 0 M V30 61 C 11.2666 -2.18464 0.0 0 M V30 62 C 12.5616 -1.37344 0.0 0 M V30 63 C 11.6834 -1.38366 0.0 0 M V30 64 C 13.01 -2.1294 0.0 0 M V30 65 N 11.613 -2.92256 0.0 0 M V30 66 C 12.5809 -2.91761 0.0 0 M V30 67 C 13.042 -3.65981 0.0 0 M V30 68 C 14.359 -4.39563 0.0 0 M V30 69 C 13.9123 -3.64175 0.0 0 M V30 70 C 13.9318 -5.15897 0.0 0 M V30 71 N 12.4906 -4.44246 0.0 0 M V30 72 C 13.0396 -5.18477 0.0 0 M V30 73 Co 10.637 -3.9363 0.0 0 M V30 74 Co 10.4864 -7.6263 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 9 7 M V30 8 2 10 8 M V30 9 1 7 11 M V30 10 1 8 9 M V30 11 2 11 12 M V30 12 1 12 10 M V30 13 1 10 13 M V30 14 1 14 8 M V30 15 1 13 5 M V30 16 1 1 14 M V30 17 1 14 15 M V30 18 1 14 16 M V30 19 1 2 17 M V30 20 1 17 18 M V30 21 1 17 19 M V30 22 1 17 20 M V30 23 1 7 21 M V30 24 1 21 22 M V30 25 1 21 23 M V30 26 1 21 24 M V30 27 1 6 25 M V30 28 1 12 26 M V30 29 2 28 26 M V30 30 2 29 27 M V30 31 1 26 30 M V30 32 1 27 28 M V30 33 2 30 31 M V30 34 1 31 29 M V30 35 2 33 25 M V30 36 2 34 32 M V30 37 1 25 35 M V30 38 1 32 33 M V30 39 2 35 36 M V30 40 1 36 34 M V30 41 1 31 37 M V30 42 2 39 37 M V30 43 2 40 38 M V30 44 1 37 41 M V30 45 1 38 39 M V30 46 2 41 42 M V30 47 1 42 40 M V30 48 1 38 43 M V30 49 2 45 43 M V30 50 2 46 44 M V30 51 1 43 47 M V30 52 1 44 45 M V30 53 2 47 48 M V30 54 1 48 46 M V30 55 1 44 49 M V30 56 2 51 49 M V30 57 2 52 50 M V30 58 1 49 53 M V30 59 1 50 51 M V30 60 2 53 54 M V30 61 1 54 52 M V30 62 1 32 55 M V30 63 2 57 55 M V30 64 2 58 56 M V30 65 1 55 59 M V30 66 1 56 57 M V30 67 2 59 60 M V30 68 1 60 58 M V30 69 1 60 61 M V30 70 2 63 61 M V30 71 2 64 62 M V30 72 1 61 65 M V30 73 1 62 63 M V30 74 2 65 66 M V30 75 1 66 64 M V30 76 1 66 67 M V30 77 2 69 67 M V30 78 2 70 68 M V30 79 1 67 71 M V30 80 1 68 69 M V30 81 2 71 72 M V30 82 1 72 70 M V30 83 10 73 34 M V30 84 10 73 59 M V30 85 10 73 65 M V30 86 10 73 71 M V30 87 10 74 29 M V30 88 10 74 39 M V30 89 10 74 45 M V30 90 10 74 51 M V30 END BOND M V30 END CTAB M END

100493 +

-INDIGO-08292214042D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 48 56 0 0 0 M V30 BEGIN ATOM M V30 1 C 5.43485 -1.95007 0.0 0 M V30 2 C 7.16515 -1.94959 0.0 0 M V30 3 C 6.30164 -1.44997 0.0 0 M V30 4 C 7.16515 -2.95053 0.0 0 M V30 5 C 5.43485 -2.95502 0.0 0 M V30 6 C 6.30382 -3.45003 0.0 0 M V30 7 C 8.02965 -1.45121 0.0 0 M V30 8 C 8.89683 -1.95155 0.0 0 M V30 9 C 8.0358 -3.45287 0.0 0 M V30 10 C 8.89903 -2.94746 0.0 0 M V30 11 C 5.45899 -4.69999 0.0 0 M V30 12 C 5.45899 -5.70001 0.0 0 M V30 13 O 6.325 -6.20001 0.0 0 M V30 14 C 7.19101 -5.70001 0.0 0 M V30 15 C 7.19101 -4.69999 0.0 0 M V30 16 N 6.325 -4.19999 0.0 0 M V30 17 C 4.59529 -6.19792 0.0 0 M V30 18 C 3.72891 -5.69805 0.0 0 M V30 19 C 4.58914 -4.19812 0.0 0 M V30 20 C 3.72671 -4.70306 0.0 0 M V30 21 C 8.05471 -4.20208 0.0 0 M V30 22 C 8.92109 -4.70195 0.0 0 M V30 23 C 8.06086 -6.20188 0.0 0 M V30 24 C 8.92329 -5.69694 0.0 0 M V30 25 C 9.78931 -6.19694 0.0 0 M V30 26 C 11.5196 -6.19529 0.0 0 M V30 27 C 10.6558 -5.69625 0.0 0 M V30 28 C 11.5203 -7.19624 0.0 0 M V30 29 C 9.78999 -7.20188 0.0 0 M V30 30 C 10.6593 -7.69631 0.0 0 M V30 31 C 12.3863 -7.69624 0.0 0 M V30 32 C 14.1166 -7.69459 0.0 0 M V30 33 C 13.2528 -7.19555 0.0 0 M V30 34 C 14.1173 -8.69553 0.0 0 M V30 35 C 12.387 -8.70118 0.0 0 M V30 36 C 13.2563 -9.19561 0.0 0 M V30 37 C 2.86289 -6.19805 0.0 0 M V30 38 C 1.99916 -7.69736 0.0 0 M V30 39 C 2.86327 -7.19876 0.0 0 M V30 40 C 1.13198 -7.19747 0.0 0 M V30 41 C 1.99224 -5.69616 0.0 0 M V30 42 C 1.1294 -6.20178 0.0 0 M V30 43 C 0.291059 -7.85629 0.0 0 M V30 44 C -0.572666 -9.35559 0.0 0 M V30 45 C 0.291442 -8.857 0.0 0 M V30 46 C -1.43984 -8.8557 0.0 0 M V30 47 C -0.579586 -7.3544 0.0 0 M V30 48 C -1.44243 -7.86002 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 2 8 7 M V30 8 1 4 9 M V30 9 1 7 2 M V30 10 2 9 10 M V30 11 1 10 8 M V30 12 1 11 16 M V30 13 2 11 12 M V30 14 1 12 13 M V30 15 1 13 14 M V30 16 2 14 15 M V30 17 1 15 16 M V30 18 2 18 17 M V30 19 1 11 19 M V30 20 1 17 12 M V30 21 2 19 20 M V30 22 1 20 18 M V30 23 2 22 21 M V30 24 1 14 23 M V30 25 1 21 15 M V30 26 2 23 24 M V30 27 1 24 22 M V30 28 1 24 25 M V30 29 2 27 25 M V30 30 2 28 26 M V30 31 1 25 29 M V30 32 1 26 27 M V30 33 2 29 30 M V30 34 1 30 28 M V30 35 1 28 31 M V30 36 2 33 31 M V30 37 2 34 32 M V30 38 1 31 35 M V30 39 1 32 33 M V30 40 2 35 36 M V30 41 1 36 34 M V30 42 1 18 37 M V30 43 2 39 37 M V30 44 2 40 38 M V30 45 1 37 41 M V30 46 1 38 39 M V30 47 2 41 42 M V30 48 1 42 40 M V30 49 1 40 43 M V30 50 2 45 43 M V30 51 2 46 44 M V30 52 1 43 47 M V30 53 1 44 45 M V30 54 2 47 48 M V30 55 1 48 46 M V30 56 1 16 6 M V30 END BOND M V30 END CTAB M END

100494 +

-INDIGO-09022208312D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 52 61 0 0 0 M V30 BEGIN ATOM M V30 1 N 6.75651 -1.9436 0.0 0 M V30 2 N 8.38864 -1.94646 0.0 0 M V30 3 C 7.57778 -1.47489 0.0 0 M V30 4 C 8.38855 -2.91556 0.0 0 M V30 5 C 6.73221 -2.90624 0.0 0 M V30 6 N 7.5676 -3.42102 0.0 0 M V30 7 C 7.55788 -4.37332 0.0 0 M V30 8 N 6.66968 -4.84839 0.0 0 M V30 9 N 5.91522 -3.32373 0.0 0 M V30 10 C 5.80091 -4.22388 0.0 0 M V30 11 N 9.23201 -3.34235 0.0 0 M V30 12 C 9.33187 -4.27386 0.0 0 M V30 13 N 8.47968 -4.86999 0.0 0 M V30 14 N 3.67458 -5.93569 0.0 0 M V30 15 N 5.32304 -6.04863 0.0 0 M V30 16 C 4.62142 -5.52543 0.0 0 M V30 17 C 5.29936 -6.96481 0.0 0 M V30 18 C 3.61199 -6.94589 0.0 0 M V30 19 N 4.4369 -7.4509 0.0 0 M V30 20 C 4.45293 -8.40647 0.0 0 M V30 21 N 3.62604 -8.88753 0.0 0 M V30 22 N 2.76946 -7.41634 0.0 0 M V30 23 C 2.7732 -8.39852 0.0 0 M V30 24 N 6.17889 -7.42318 0.0 0 M V30 25 C 6.27276 -8.35419 0.0 0 M V30 26 N 5.35854 -8.90944 0.0 0 M V30 27 N 9.56316 -6.16566 0.0 0 M V30 28 N 11.2789 -6.15239 0.0 0 M V30 29 C 10.4328 -5.67146 0.0 0 M V30 30 C 11.284 -7.15585 0.0 0 M V30 31 C 9.5316 -7.12259 0.0 0 M V30 32 N 10.3745 -7.66422 0.0 0 M V30 33 C 10.384 -8.6252 0.0 0 M V30 34 N 9.42104 -9.11456 0.0 0 M V30 35 N 8.60694 -7.56675 0.0 0 M V30 36 C 8.5023 -8.49732 0.0 0 M V30 37 N 12.1505 -7.63934 0.0 0 M V30 38 C 12.1631 -8.62196 0.0 0 M V30 39 N 11.2761 -9.1487 0.0 0 M V30 40 N 4.80294 -4.59054 0.0 0 M V30 41 N 10.3846 -4.65214 0.0 0 M V30 42 N 7.48201 -8.94805 0.0 0 M V30 43 C 7.48201 -9.94805 0.0 0 M V30 44 N 13.0291 -9.12196 0.0 0 M V30 45 N 1.90717 -8.89852 0.0 0 M V30 46 C 13.0291 -10.122 0.0 0 M V30 47 C 13.8951 -8.62196 0.0 0 M V30 48 C 1.90717 -9.89852 0.0 0 M V30 49 C 1.04115 -8.39852 0.0 0 M V30 50 C 3.93692 -4.09054 0.0 0 M V30 51 C 11.2506 -4.15214 0.0 0 M V30 52 C 7.57778 -0.474889 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 3 1 M V30 2 1 4 2 M V30 3 2 1 5 M V30 4 2 2 3 M V30 5 1 5 6 M V30 6 2 6 4 M V30 7 2 8 7 M V30 8 1 5 9 M V30 9 1 7 6 M V30 10 2 9 10 M V30 11 1 10 8 M V30 12 2 12 11 M V30 13 1 11 4 M V30 14 1 7 13 M V30 15 1 13 12 M V30 16 2 16 14 M V30 17 2 17 15 M V30 18 1 14 18 M V30 19 1 15 16 M V30 20 2 18 19 M V30 21 1 19 17 M V30 22 1 21 20 M V30 23 1 18 22 M V30 24 1 20 19 M V30 25 2 22 23 M V30 26 1 23 21 M V30 27 2 25 24 M V30 28 1 24 17 M V30 29 2 20 26 M V30 30 1 26 25 M V30 31 2 29 27 M V30 32 2 30 28 M V30 33 1 27 31 M V30 34 1 28 29 M V30 35 2 31 32 M V30 36 1 32 30 M V30 37 2 34 33 M V30 38 1 31 35 M V30 39 1 33 32 M V30 40 2 35 36 M V30 41 1 36 34 M V30 42 2 38 37 M V30 43 1 37 30 M V30 44 1 33 39 M V30 45 1 39 38 M V30 46 1 10 40 M V30 47 1 40 16 M V30 48 1 12 41 M V30 49 1 41 29 M V30 50 1 25 42 M V30 51 1 42 36 M V30 52 8 42 43 M V30 53 1 38 44 M V30 54 1 23 45 M V30 55 8 44 46 M V30 56 8 44 47 M V30 57 8 45 48 M V30 58 8 45 49 M V30 59 8 40 50 M V30 60 8 41 51 M V30 61 8 3 52 M V30 END BOND M V30 END CTAB M END

100496 +

-INDIGO-07122210472D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 43 51 0 0 0 M V30 BEGIN ATOM M V30 1 C 3.35388 -2.01258 0.0 0 M V30 2 C 4.32383 -2.26158 0.0 0 M V30 3 C 4.6303 -3.13022 0.0 0 M V30 4 C 3.67187 -3.64634 0.0 0 M V30 5 C 2.81616 -3.25377 0.0 0 M V30 6 C 2.69473 -2.51947 0.0 0 M V30 7 N 4.70247 -4.74547 0.0 0 M V30 8 C 4.50703 -5.62547 0.0 0 M V30 9 C 3.56066 -5.97075 0.0 0 M V30 10 C 2.88786 -5.52592 0.0 0 M V30 11 C 2.92203 -4.77931 0.0 0 M V30 12 C 6.19609 -5.30705 0.0 0 M V30 13 C 7.10483 -5.84556 0.0 0 M V30 14 C 7.1601 -6.75677 0.0 0 M V30 15 C 6.54711 -7.15591 0.0 0 M V30 16 C 5.80722 -6.79558 0.0 0 M V30 17 C 5.61049 -5.87429 0.0 0 M V30 18 C 8.59015 -4.22681 0.0 0 M V30 19 C 9.37931 -4.86415 0.0 0 M V30 20 C 9.32023 -5.65455 0.0 0 M V30 21 C 8.59783 -5.98423 0.0 0 M V30 22 C 7.72436 -5.47622 0.0 0 M V30 23 N 7.62662 -4.52158 0.0 0 M V30 24 C 6.11105 -0.379787 0.0 0 M V30 25 C 6.77119 -0.809596 0.0 0 M V30 26 C 6.7652 -1.77253 0.0 0 M V30 27 N 5.94395 -2.35061 0.0 0 M V30 28 C 5.22334 -1.77336 0.0 0 M V30 29 C 5.35867 -0.767492 0.0 0 M V30 30 C 8.22897 -1.51964 0.0 0 M V30 31 C 8.95456 -1.8394 0.0 0 M V30 32 C 9.05239 -2.70074 0.0 0 M V30 33 C 8.28788 -3.38387 0.0 0 M V30 34 C 7.40988 -3.1222 0.0 0 M V30 35 C 7.4134 -2.09729 0.0 0 M V30 36 C 3.80457 -4.32548 0.0 0 M V30 37 F 1.98956 -3.83629 0.0 0 M V30 38 F 3.1543 -0.890091 0.0 0 M V30 39 F 8.14503 -0.46972 0.0 0 M V30 40 F 10.0756 -3.09587 0.0 0 M V30 41 F 8.14709 -7.23392 0.0 0 M V30 42 F 5.00116 -7.44328 0.0 0 M V30 43 Ir 6.10541 -3.85065 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 2 3 M V30 3 1 3 4 M V30 4 2 4 5 M V30 5 1 5 6 M V30 6 2 6 1 M V30 7 2 7 8 M V30 8 1 8 9 M V30 9 2 9 10 M V30 10 1 10 11 M V30 11 1 12 13 M V30 12 2 13 14 M V30 13 1 14 15 M V30 14 2 15 16 M V30 15 1 16 17 M V30 16 2 17 12 M V30 17 1 18 19 M V30 18 2 19 20 M V30 19 1 20 21 M V30 20 2 21 22 M V30 21 1 22 23 M V30 22 2 23 18 M V30 23 1 24 25 M V30 24 2 25 26 M V30 25 1 26 27 M V30 26 2 27 28 M V30 27 1 28 29 M V30 28 2 29 24 M V30 29 1 30 31 M V30 30 2 31 32 M V30 31 1 32 33 M V30 32 2 33 34 M V30 33 1 34 35 M V30 34 2 35 30 M V30 35 1 36 7 M V30 36 2 11 36 M V30 37 1 4 36 M V30 38 1 13 22 M V30 39 1 35 26 M V30 40 1 5 37 M V30 41 1 1 38 M V30 42 1 30 39 M V30 43 1 32 40 M V30 44 1 14 41 M V30 45 1 16 42 M V30 46 8 43 27 M V30 47 8 34 43 M V30 48 8 43 23 M V30 49 8 43 12 M V30 50 8 43 7 M V30 51 8 43 3 M V30 END BOND M V30 END CTAB M END

100497 +

-INDIGO-07142209192D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 57 66 6 0 0 M V30 BEGIN ATOM M V30 1 C 10.527 7.18755 0.0 0 M V30 2 C 11.3802 6.75675 0.0 0 M V30 3 C 11.3775 5.86652 0.0 0 M V30 4 C 10.5265 5.33811 0.0 0 M V30 5 N 9.64766 5.71133 0.0 0 M V30 6 C 9.62093 6.65612 0.0 0 M V30 7 C 12.1468 5.45866 0.0 0 M V30 8 C 12.1816 4.58201 0.0 0 M V30 9 C 11.4478 4.13243 0.0 0 M V30 10 C 10.6074 4.55856 0.0 0 M V30 11 C 11.5236 3.23914 0.0 0 M V30 12 C 10.7307 2.65735 0.0 0 M V30 13 C 9.78563 3.19102 0.0 0 M V30 14 N 9.7359 3.98661 0.0 0 M V30 15 C 13.6404 8.56769 0.0 0 M V30 16 C 14.3942 7.94459 0.0 0 M V30 17 C 14.2347 6.98422 0.0 0 M V30 18 C 13.2874 6.61878 0.0 0 M V30 19 C 12.4677 7.25182 0.0 0 M V30 20 C 12.6764 8.23715 0.0 0 M V30 21 C 13.1745 3.36136 0.0 0 M V30 22 C 14.0381 2.93732 0.0 0 M V30 23 C 14.1075 1.97289 0.0 0 M V30 24 C 13.3088 1.43065 0.0 0 M V30 25 C 12.4352 1.85481 0.0 0 M V30 26 C 12.3606 2.82631 0.0 0 M V30 27 C 8.79855 7.2201 0.0 0 M V30 28 C 9.04987 2.4813 0.0 0 M V30 29 Cu 8.73352 4.77777 0.0 0 CHG=1 M V30 30 P 7.76899 4.2268 0.0 0 M V30 31 P 7.71865 5.33155 0.0 0 M V30 32 C 7.51512 3.45575 0.0 0 M V30 33 C 8.30391 2.83731 0.0 0 M V30 34 C 8.23049 1.66785 0.0 0 M V30 35 C 7.27835 1.28231 0.0 0 M V30 36 C 6.42159 1.90749 0.0 0 M V30 37 C 6.61654 3.14995 0.0 0 M V30 38 C 8.57672 3.49647 0.0 0 M V30 39 C 9.29169 4.05378 0.0 0 M V30 40 C 10.1216 3.51123 0.0 0 M V30 41 C 10.1749 2.73137 0.0 0 M V30 42 C 9.42568 2.131 0.0 0 M V30 43 C 8.63848 2.68797 0.0 0 M V30 44 C 7.97685 6.35559 0.0 0 M V30 45 C 7.18433 7.00502 0.0 0 M V30 46 C 7.34087 8.00233 0.0 0 M V30 47 C 8.29595 8.39413 0.0 0 M V30 48 C 9.11617 7.82782 0.0 0 M V30 49 C 8.90645 6.64847 0.0 0 M V30 50 C 6.82686 6.52494 0.0 0 M V30 51 C 6.53522 4.60324 0.0 0 M V30 52 C 6.03405 6.32273 0.0 0 M V30 53 C 5.75576 5.37142 0.0 0 M V30 54 C 7.06416 4.79107 0.0 0 M V30 55 C 7.06416 4.79107 0.0 0 M V30 56 C 7.06416 4.79107 0.0 0 M V30 57 C 7.06416 4.79107 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 1 2 M V30 2 1 2 3 M V30 3 2 3 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 6 1 6 1 M V30 7 1 3 7 M V30 8 2 7 8 M V30 9 1 8 9 M V30 10 2 9 10 M V30 11 1 10 4 M V30 12 2 11 12 M V30 13 1 13 14 M V30 14 1 14 10 M V30 15 1 12 13 M V30 16 1 11 9 M V30 17 1 15 16 M V30 18 2 16 17 M V30 19 1 17 18 M V30 20 2 18 19 M V30 21 1 19 20 M V30 22 2 20 15 M V30 23 1 21 22 M V30 24 2 22 23 M V30 25 1 23 24 M V30 26 2 24 25 M V30 27 1 25 26 M V30 28 2 26 21 M V30 29 1 11 26 M V30 30 1 2 19 M V30 31 1 6 27 M V30 32 1 13 28 M V30 33 8 5 29 M V30 34 8 14 29 M V30 35 8 29 30 M V30 36 8 29 31 M V30 37 1 30 32 M V30 38 2 33 32 M V30 39 1 34 33 M V30 40 2 35 34 M V30 41 1 36 35 M V30 42 2 37 36 M V30 43 1 32 37 M V30 44 1 30 38 M V30 45 1 39 38 M V30 46 1 40 39 M V30 47 1 41 40 M V30 48 1 42 41 M V30 49 1 43 42 M V30 50 1 38 43 M V30 51 1 31 44 M V30 52 2 45 44 M V30 53 1 46 45 M V30 54 2 47 46 M V30 55 1 48 47 M V30 56 2 49 48 M V30 57 1 44 49 M V30 58 1 31 50 M V30 59 1 50 52 M V30 60 2 52 53 M V30 61 1 53 51 M V30 62 1 31 54 M V30 63 1 54 55 M V30 64 1 55 56 M V30 65 1 56 57 M V30 66 1 57 30 M V30 END BOND M V30 BEGIN SGROUP M V30 1 SUP 1 ATOMS=(6 32 33 34 35 36 37) BRKXYZ=(9 0.000000 0.000000 0.0000- M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.- M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - M V30 0.000000) LABEL=Ph M V30 2 SUP 2 ATOMS=(6 38 39 40 41 42 43) BRKXYZ=(9 0.000000 0.000000 0.0000- M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.- M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - M V30 0.000000) LABEL=Ph M V30 3 SUP 3 ATOMS=(6 44 45 46 47 48 49) BRKXYZ=(9 0.000000 0.000000 0.0000- M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.- M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - M V30 0.000000) LABEL=Ph M V30 4 SUP 4 ATOMS=(4 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0- M V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000- M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000- M V30 00) LABEL=Ph M V30 5 MUL 5 ATOMS=(4 54 55 56 57) BRKXYZ=(9 6.564161 4.291071 0.000000 6.5- M V30 64161 5.291071 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 7.564161- M V30 5.291071 0.000000 7.564161 4.291071 0.000000 0.000000 0.000000 0.0000- M V30 00) PATOMS=(1 54) MULT=4 M V30 6 GEN 6 ATOMS=(54 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2- M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44- M V30 45 46 47 48 49 50 51 52 53 54) BRKXYZ=(9 0.000000 0.000000 0.000000 0- M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000- M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00- M V30 0000) M V30 END SGROUP M V30 END CTAB M END

100498 +

-INDIGO-07072219212D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 34 40 0 0 0 M V30 BEGIN ATOM M V30 1 C 7.79103 -2.77689 0.0 0 M V30 2 C 8.29102 -3.64291 0.0 0 M V30 3 C 7.79101 -4.50895 0.0 0 M V30 4 C 6.79102 -4.50897 0.0 0 M V30 5 C 6.29103 -3.64294 0.0 0 M V30 6 C 6.79104 -2.7769 0.0 0 M V30 7 N 8.29104 -5.37498 0.0 0 M V30 8 C 7.79108 -6.24102 0.0 0 M V30 9 C 6.79108 -6.24103 0.0 0 M V30 10 N 6.29106 -5.375 0.0 0 M V30 11 C 8.29111 -7.10704 0.0 0 M V30 12 C 7.79114 -7.97308 0.0 0 M V30 13 C 6.79115 -7.97309 0.0 0 M V30 14 C 6.29112 -7.10707 0.0 0 M V30 15 C 5.29106 -5.37503 0.0 0 M V30 16 C 9.29104 -5.37495 0.0 0 M V30 17 C 4.79105 -6.24105 0.0 0 M V30 18 C 3.79103 -6.24105 0.0 0 M V30 19 C 3.29103 -5.37503 0.0 0 M V30 20 C 3.79103 -4.50902 0.0 0 M V30 21 C 4.79105 -4.50902 0.0 0 M V30 22 C 9.79105 -4.50893 0.0 0 M V30 23 C 10.7911 -4.50893 0.0 0 M V30 24 C 11.2911 -5.37495 0.0 0 M V30 25 C 10.7911 -6.24096 0.0 0 M V30 26 C 9.79105 -6.24096 0.0 0 M V30 27 C 12.2911 -5.37495 0.0 0 M V30 28 C 12.7911 -6.24096 0.0 0 M V30 29 C 12.2911 -7.10697 0.0 0 M V30 30 C 11.2911 -7.10697 0.0 0 M V30 31 C 3.29105 -7.1071 0.0 0 M V30 32 C 2.29106 -7.10714 0.0 0 M V30 33 C 1.79105 -6.24112 0.0 0 M V30 34 C 2.29103 -5.37507 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 2 3 M V30 3 1 3 4 M V30 4 2 4 5 M V30 5 1 5 6 M V30 6 2 6 1 M V30 7 1 3 7 M V30 8 1 7 8 M V30 9 2 8 9 M V30 10 1 9 10 M V30 11 1 10 4 M V30 12 1 8 11 M V30 13 2 11 12 M V30 14 1 12 13 M V30 15 2 13 14 M V30 16 1 14 9 M V30 17 1 10 15 M V30 18 1 7 16 M V30 19 1 15 17 M V30 20 2 17 18 M V30 21 1 18 19 M V30 22 2 19 20 M V30 23 1 20 21 M V30 24 2 21 15 M V30 25 1 16 22 M V30 26 2 22 23 M V30 27 1 23 24 M V30 28 1 24 25 M V30 29 1 25 26 M V30 30 2 26 16 M V30 31 2 24 27 M V30 32 1 27 28 M V30 33 2 28 29 M V30 34 1 29 30 M V30 35 2 30 25 M V30 36 1 18 31 M V30 37 2 31 32 M V30 38 1 32 33 M V30 39 2 33 34 M V30 40 1 34 19 M V30 END BOND M V30 END CTAB M END

100499 +

-INDIGO-07072219222D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 19 21 0 0 0 M V30 BEGIN ATOM M V30 1 C 4.4 -3.94999 0.0 0 M V30 2 C 5.26601 -4.44999 0.0 0 M V30 3 C 5.26601 -5.45001 0.0 0 M V30 4 C 4.4 -5.95001 0.0 0 M V30 5 C 3.53399 -5.45001 0.0 0 M V30 6 C 3.53399 -4.44999 0.0 0 M V30 7 C 6.13206 -3.94996 0.0 0 M V30 8 C 6.99811 -4.44995 0.0 0 M V30 9 C 6.99811 -5.44996 0.0 0 M V30 10 C 6.13206 -5.94999 0.0 0 M V30 11 C 7.86417 -3.94992 0.0 0 M V30 12 C 8.73022 -4.4499 0.0 0 M V30 13 C 8.73022 -5.44992 0.0 0 M V30 14 C 7.86417 -5.94995 0.0 0 M V30 15 O 6.13204 -2.94996 0.0 0 M V30 16 O 6.13208 -6.94999 0.0 0 M V30 17 O 4.4 -2.94999 0.0 0 M V30 18 O 2.66796 -3.95 0.0 0 M V30 19 O 4.4 -6.95001 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 2 3 M V30 3 1 3 4 M V30 4 2 4 5 M V30 5 1 5 6 M V30 6 2 6 1 M V30 7 1 2 7 M V30 8 1 7 8 M V30 9 1 8 9 M V30 10 1 9 10 M V30 11 1 10 3 M V30 12 2 8 11 M V30 13 1 11 12 M V30 14 2 12 13 M V30 15 1 13 14 M V30 16 2 14 9 M V30 17 2 7 15 M V30 18 2 10 16 M V30 19 1 1 17 M V30 20 1 6 18 M V30 21 1 4 19 M V30 END BOND M V30 END CTAB M END +

100500 +

-INDIGO-07072219222D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 29 33 0 0 0 M V30 BEGIN ATOM M V30 1 C 4.05 -4.49999 0.0 0 M V30 2 C 4.91601 -4.99999 0.0 0 M V30 3 C 4.91601 -6.0 0.0 0 M V30 4 C 4.05 -6.50001 0.0 0 M V30 5 C 3.18399 -6.0 0.0 0 M V30 6 C 3.18399 -4.99999 0.0 0 M V30 7 C 5.78206 -4.49996 0.0 0 M V30 8 C 6.64811 -4.99995 0.0 0 M V30 9 C 6.64811 -5.99996 0.0 0 M V30 10 C 5.78206 -6.49999 0.0 0 M V30 11 C 7.51416 -4.49992 0.0 0 M V30 12 C 8.38022 -4.9999 0.0 0 M V30 13 C 8.38022 -5.99992 0.0 0 M V30 14 C 7.51416 -6.49995 0.0 0 M V30 15 Br 9.24623 -4.49989 0.0 0 M V30 16 O 9.24624 -6.49991 0.0 0 M V30 17 Br 7.51418 -7.49995 0.0 0 M V30 18 Br 4.05 -7.50001 0.0 0 M V30 19 O 2.31796 -6.5 0.0 0 M V30 20 Br 2.31796 -4.5 0.0 0 M V30 21 C 4.97307 -3.91217 0.0 0 M V30 22 C 5.28207 -2.96108 0.0 0 M V30 23 C 6.28206 -2.96108 0.0 0 M V30 24 O 6.59105 -3.91217 0.0 0 M V30 25 C 3.3257 -3.37701 0.0 0 M V30 26 C 3.6347 -2.42592 0.0 0 M V30 27 C 4.61288 -2.21796 0.0 0 M V30 28 C 4.03281 -4.08411 0.0 0 M V30 29 O 6.98916 -2.25398 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 2 3 M V30 3 1 3 4 M V30 4 2 4 5 M V30 5 1 5 6 M V30 6 2 6 1 M V30 7 1 2 7 M V30 8 1 7 8 M V30 9 1 8 9 M V30 10 1 9 10 M V30 11 1 10 3 M V30 12 2 8 11 M V30 13 1 11 12 M V30 14 2 12 13 M V30 15 1 13 14 M V30 16 2 14 9 M V30 17 1 12 15 M V30 18 1 13 16 M V30 19 1 14 17 M V30 20 1 4 18 M V30 21 1 5 19 M V30 22 1 6 20 M V30 23 1 7 21 M V30 24 1 21 22 M V30 25 1 22 23 M V30 26 1 23 24 M V30 27 1 24 7 M V30 28 2 25 26 M V30 29 1 26 27 M V30 30 2 27 22 M V30 31 1 25 28 M V30 32 2 28 21 M V30 33 2 23 29 M V30 END BOND M V30 END CTAB M END +

100501 +

-INDIGO-07072219252D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 50 60 0 0 0 M V30 BEGIN ATOM M V30 1 C 3.68671 3.81803 0.0 0 M V30 2 C -3.94934 3.81803 0.0 0 M V30 3 C 3.68671 -3.81803 0.0 0 M V30 4 C -3.94934 -3.81803 0.0 0 M V30 5 C 3.94131 2.86787 0.0 0 M V30 6 C 2.73656 4.07262 0.0 0 M V30 7 C -2.99919 4.07262 0.0 0 M V30 8 C -4.20394 2.86787 0.0 0 M V30 9 C 2.73656 -4.07262 0.0 0 M V30 10 C 3.94131 -2.86787 0.0 0 M V30 11 C -4.20394 -2.86787 0.0 0 M V30 12 C -2.99919 -4.07262 0.0 0 M V30 13 C 3.24574 2.17231 0.0 0 M V30 14 C 2.04099 3.37706 0.0 0 M V30 15 C -2.30362 3.37706 0.0 0 M V30 16 C -3.50837 2.17231 0.0 0 M V30 17 C 2.04099 -3.37706 0.0 0 M V30 18 C 3.24574 -2.17231 0.0 0 M V30 19 C -3.50837 -2.17231 0.0 0 M V30 20 C -2.30362 -3.37706 0.0 0 M V30 21 C 0.360522 2.97084 0.0 0 M V30 22 C 2.83953 0.491837 0.0 0 M V30 23 C -0.623152 2.97084 0.0 0 M V30 24 C 2.83953 -0.491837 0.0 0 M V30 25 C -3.10216 0.491837 0.0 0 M V30 26 C 0.360522 -2.97084 0.0 0 M V30 27 C -3.10216 -0.491837 0.0 0 M V30 28 C -0.623152 -2.97084 0.0 0 M V30 29 C 2.29559 2.4269 0.0 0 M V30 30 C -2.55822 2.4269 0.0 0 M V30 31 C 2.29559 -2.4269 0.0 0 M V30 32 C -2.55822 -2.4269 0.0 0 M V30 33 C 0.664494 2.03531 0.0 0 M V30 34 C 1.904 0.795809 0.0 0 M V30 35 C -0.927124 2.03531 0.0 0 M V30 36 C 1.904 -0.795809 0.0 0 M V30 37 C -2.16663 0.795809 0.0 0 M V30 38 C 0.664494 -2.03531 0.0 0 M V30 39 C -2.16663 -0.795809 0.0 0 M V30 40 C -0.927124 -2.03531 0.0 0 M V30 41 C 1.60002 1.73134 0.0 0 M V30 42 C -1.86265 1.73134 0.0 0 M V30 43 C 1.60002 -1.73134 0.0 0 M V30 44 C -1.86265 -1.73134 0.0 0 M V30 45 N -0.131315 1.45712 0.0 0 CHG=-1 M V30 46 N 1.32581 0.0 0.0 0 M V30 47 N -1.58844 0.0 0.0 0 M V30 48 N -0.131315 -1.45712 0.0 0 CHG=-1 M V30 49 Fe -0.0813151 -0.0565947 0.0 0 CHG=3 M V30 50 Cl 4.20394 0.103124 0.0 0 CHG=-1 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 5 1 M V30 2 1 6 1 M V30 3 2 7 2 M V30 4 1 8 2 M V30 5 2 9 3 M V30 6 1 10 3 M V30 7 2 11 4 M V30 8 1 12 4 M V30 9 1 13 5 M V30 10 2 14 6 M V30 11 1 15 7 M V30 12 2 16 8 M V30 13 1 17 9 M V30 14 2 18 10 M V30 15 1 19 11 M V30 16 2 20 12 M V30 17 2 23 21 M V30 18 2 24 22 M V30 19 2 27 25 M V30 20 1 28 26 M V30 21 2 29 13 M V30 22 1 29 14 M V30 23 2 30 15 M V30 24 1 30 16 M V30 25 2 31 17 M V30 26 1 31 18 M V30 27 2 32 19 M V30 28 1 32 20 M V30 29 1 33 21 M V30 30 1 34 22 M V30 31 1 35 23 M V30 32 1 36 24 M V30 33 1 37 25 M V30 34 2 38 26 M V30 35 1 39 27 M V30 36 2 40 28 M V30 37 1 41 29 M V30 38 2 41 33 M V30 39 1 41 34 M V30 40 1 42 30 M V30 41 2 42 35 M V30 42 1 42 37 M V30 43 1 43 31 M V30 44 2 43 36 M V30 45 1 43 38 M V30 46 1 44 32 M V30 47 2 44 39 M V30 48 1 44 40 M V30 49 1 45 33 M V30 50 1 45 35 M V30 51 2 46 34 M V30 52 1 46 36 M V30 53 2 47 37 M V30 54 1 47 39 M V30 55 1 48 38 M V30 56 1 48 40 M V30 57 8 45 49 M V30 58 8 48 49 M V30 59 8 47 49 M V30 60 8 46 49 M V30 END BOND M V30 END CTAB M END

100502 +

-INDIGO-01102413012D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 20 22 0 0 0 M V30 BEGIN ATOM M V30 1 Re 0.30604 -0.00717888 0.0 0 M V30 2 C -2.34979 -1.7255 0.0 0 M V30 3 C -1.60196 -2.15112 0.0 0 M V30 4 C -0.859453 -1.71629 0.0 0 M V30 5 N -0.864771 -0.855843 0.0 0 M V30 6 C -1.6126 -0.430224 0.0 0 M V30 7 C -2.35511 -0.865054 0.0 0 M V30 8 C -1.61792 0.430223 0.0 0 M V30 9 N -0.875404 0.865052 0.0 0 M V30 10 C -0.880722 1.7255 0.0 0 M V30 11 C -1.62855 2.15112 0.0 0 M V30 12 C -2.37106 1.71629 0.0 0 M V30 13 C -2.36574 0.855842 0.0 0 M V30 14 Br 0.30604 1.31389 0.0 0 M V30 15 C 0.30604 -1.00718 0.0 0 CHG=-1 M V30 16 C 1.16315 0.674928 0.0 0 CHG=-1 M V30 17 C 1.17207 -0.507179 0.0 0 CHG=-1 M V30 18 O 1.92025 1.23203 0.0 0 CHG=1 M V30 19 O 2.03809 -1.00718 0.0 0 CHG=1 M V30 20 O 0.30604 -2.00718 0.0 0 CHG=1 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 2 3 M V30 2 1 3 4 M V30 3 2 4 5 M V30 4 1 5 6 M V30 5 2 6 7 M V30 6 1 7 2 M V30 7 1 6 8 M V30 8 2 8 9 M V30 9 1 9 10 M V30 10 2 10 11 M V30 11 1 11 12 M V30 12 2 12 13 M V30 13 1 13 8 M V30 14 8 1 9 M V30 15 8 5 1 M V30 16 1 1 14 M V30 17 10 1 15 M V30 18 10 1 16 M V30 19 10 1 17 M V30 20 3 16 18 M V30 21 3 17 19 M V30 22 3 15 20 M V30 END BOND M V30 END CTAB M END +

100503 +

-INDIGO-07072219262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 15 16 0 0 0 M V30 BEGIN ATOM M V30 1 N 0.807974 0.932969 0.0 0 M V30 2 C 1.61595 0.466485 0.0 0 M V30 3 C 1.61595 -0.466485 0.0 0 M V30 4 N 0.807974 -0.932969 0.0 0 M V30 5 C 0.807974 -1.86594 0.0 0 M V30 6 C 0.0 -2.33242 0.0 0 M V30 7 C -0.807975 -1.86594 0.0 0 M V30 8 N -0.807975 -0.932969 0.0 0 M V30 9 C -1.61595 -0.466485 0.0 0 M V30 10 C -1.61595 0.466485 0.0 0 M V30 11 N -0.807975 0.932969 0.0 0 M V30 12 C -0.807975 1.86594 0.0 0 M V30 13 C 0.0 2.33242 0.0 0 M V30 14 C 0.807974 1.86594 0.0 0 M V30 15 Ni -0.05 -0.025 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 2 3 M V30 3 1 3 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 6 1 6 7 M V30 7 1 7 8 M V30 8 1 8 9 M V30 9 1 9 10 M V30 10 1 10 11 M V30 11 1 11 12 M V30 12 1 12 13 M V30 13 1 13 14 M V30 14 1 1 14 M V30 15 9 1 15 M V30 16 9 8 15 M V30 END BOND M V30 END CTAB M END +

100504 +

-INDIGO-07072219262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 37 46 0 0 0 M V30 BEGIN ATOM M V30 1 C -0.610215 -2.25246 0.0 0 M V30 2 C -1.02864 -3.01146 0.0 0 M V30 3 C -1.89516 -3.0286 0.0 0 M V30 4 C -2.34327 -2.28673 0.0 0 M V30 5 C -1.92485 -1.52773 0.0 0 M V30 6 N -1.05832 -1.51059 0.0 0 M V30 7 C -2.37295 -0.785863 0.0 0 M V30 8 C -3.23948 -0.802998 0.0 0 M V30 9 C -3.68758 -0.061133 0.0 0 M V30 10 C -3.26916 0.69787 0.0 0 M V30 11 C -2.40263 0.715005 0.0 0 M V30 12 N -1.95453 -0.0268602 0.0 0 M V30 13 C -1.98421 1.47401 0.0 0 M V30 14 C -2.43231 2.21587 0.0 0 M V30 15 C -2.01389 2.97488 0.0 0 M V30 16 C -1.14736 2.99201 0.0 0 M V30 17 C -0.699257 2.25014 0.0 0 M V30 18 N -1.11768 1.49114 0.0 0 M V30 19 Co 0.096926 0.00199393 0.0 0 M V30 20 C 0.604714 2.24923 0.0 0 M V30 21 C 1.02123 3.00928 0.0 0 M V30 22 C 1.88771 3.0286 0.0 0 M V30 23 C 2.33768 2.28786 0.0 0 M V30 24 C 1.92116 1.52781 0.0 0 M V30 25 N 1.05468 1.50849 0.0 0 M V30 26 C 2.37113 0.787071 0.0 0 M V30 27 C 3.23761 0.806386 0.0 0 M V30 28 C 3.68758 0.0656493 0.0 0 M V30 29 C 3.27107 -0.694402 0.0 0 M V30 30 C 2.40459 -0.713717 0.0 0 M V30 31 N 1.95462 0.0270188 0.0 0 M V30 32 C 1.98807 -1.47377 0.0 0 M V30 33 C 2.43804 -2.21451 0.0 0 M V30 34 C 2.02153 -2.97456 0.0 0 M V30 35 C 1.15505 -2.99387 0.0 0 M V30 36 C 0.705079 -2.25314 0.0 0 M V30 37 N 1.12159 -1.49308 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 1 2 M V30 2 1 2 3 M V30 3 2 3 4 M V30 4 1 4 5 M V30 5 2 5 6 M V30 6 1 1 6 M V30 7 1 5 7 M V30 8 1 7 8 M V30 9 2 8 9 M V30 10 1 9 10 M V30 11 2 10 11 M V30 12 1 11 12 M V30 13 2 7 12 M V30 14 1 11 13 M V30 15 2 13 14 M V30 16 1 14 15 M V30 17 2 15 16 M V30 18 1 16 17 M V30 19 2 17 18 M V30 20 1 13 18 M V30 21 2 20 21 M V30 22 1 21 22 M V30 23 2 22 23 M V30 24 1 23 24 M V30 25 2 24 25 M V30 26 1 20 25 M V30 27 1 24 26 M V30 28 1 26 27 M V30 29 2 27 28 M V30 30 1 28 29 M V30 31 2 29 30 M V30 32 1 30 31 M V30 33 2 26 31 M V30 34 1 30 32 M V30 35 2 32 33 M V30 36 1 33 34 M V30 37 2 34 35 M V30 38 1 35 36 M V30 39 2 36 37 M V30 40 1 32 37 M V30 41 8 25 19 M V30 42 8 18 19 M V30 43 8 12 19 M V30 44 8 6 19 M V30 45 8 37 19 M V30 46 8 31 19 M V30 END BOND M V30 END CTAB M END

100505 +

-INDIGO-10172210542D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 7 6 0 0 0 M V30 BEGIN ATOM M V30 1 N 9.05997 -6.33177 0.0 0 M V30 2 C 8.35579 -5.63333 0.0 0 M V30 3 C 7.39895 -5.89012 0.0 0 M V30 4 C 10.0472 -6.05249 0.0 0 M V30 5 C 10.7737 -6.74539 0.0 0 M V30 6 C 8.81579 -7.28361 0.0 0 M V30 7 C 9.54063 -7.97968 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 2 3 M V30 3 1 1 4 M V30 4 1 4 5 M V30 5 1 1 6 M V30 6 1 6 7 M V30 END BOND M V30 END CTAB M END +

100507 +

-INDIGO-10172210562D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 10 9 0 0 0 M V30 BEGIN ATOM M V30 1 N 7.61573 -7.01614 0.0 0 M V30 2 C 8.00917 -6.08172 0.0 0 M V30 3 C 8.21465 -7.79159 0.0 0 M V30 4 C 6.62364 -7.13533 0.0 0 M V30 5 C 6.22835 -8.03915 0.0 0 M V30 6 C 9.03721 -5.93881 0.0 0 M V30 7 C 7.84941 -8.71052 0.0 0 M V30 8 O 8.48656 -9.49848 0.0 0 M V30 9 O 9.38012 -5.01068 0.0 0 M V30 10 O 5.24255 -8.14109 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 1 3 M V30 3 1 1 4 M V30 4 1 4 5 M V30 5 1 2 6 M V30 6 1 3 7 M V30 7 1 7 8 M V30 8 1 6 9 M V30 9 1 5 10 M V30 END BOND M V30 END CTAB M END +

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