D4M8RS -OEChem-06062108582D 168177 0 1 0 0 0 0 0999 V2000 7.9792 1.0732 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3617 0.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 -1.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8611 0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2210 3.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5725 0.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9694 3.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0995 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7674 1.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4893 -1.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1188 -2.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 -2.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2981 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8469 -2.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3134 -3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1401 -0.4423 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8267 -0.7915 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.7324 1.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5965 1.5710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 -0.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4055 1.8783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2722 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7689 0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 -0.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3074 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 -0.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0042 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -1.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1440 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0004 1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8722 -0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8318 -0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7363 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2196 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3634 0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6228 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 -4.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8303 -3.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3650 0.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 -1.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3034 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3034 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2095 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1034 1.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2095 2.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1034 2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9694 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9694 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8355 1.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5754 2.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8355 2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1787 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1674 -0.2774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0128 -1.0501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6432 3.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0315 -1.2428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7015 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8429 -1.6078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3740 -0.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8241 -1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1378 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 0.5084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6542 -1.9727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6118 1.0660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4593 -0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5411 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 3.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3967 4.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7404 -1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3823 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5522 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6797 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5777 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8335 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3541 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7930 -3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6301 -3.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3523 0.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8742 1.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6589 1.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1871 0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1227 -0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3746 -2.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9274 -1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 0.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4661 0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7646 -1.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 -2.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 -1.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7640 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7861 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3902 0.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4755 -0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2725 -0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2612 2.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4642 2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9506 -0.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3465 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0554 -2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -3.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 -2.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 -3.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0745 -4.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 -3.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -2.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3675 0.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0240 1.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4704 0.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7615 4.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2884 -0.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3044 -1.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8819 -2.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 -1.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0115 2.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2384 3.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3915 3.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5064 4.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7851 -0.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 0.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9881 -1.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7395 -0.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2875 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2650 -2.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5160 0.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9756 0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 -0.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1980 -0.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0248 -1.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8843 -1.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 3.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8043 3.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8639 4.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9891 4.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9887 -1.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3086 -0.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4922 -0.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5943 -0.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4331 -2.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7467 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1650 2.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2228 2.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3510 2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4442 1.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1445 2.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7807 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5923 -3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3796 -3.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9938 -2.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -3.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1812 -4.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0577 -4.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 46 2 0 0 0 0 3 51 1 0 0 0 0 3122 1 0 0 0 0 4 51 2 0 0 0 0 5 53 1 0 0 0 0 5124 1 0 0 0 0 6 55 1 0 0 0 0 6125 1 0 0 0 0 7 59 1 0 0 0 0 7 63 1 0 0 0 0 8 58 1 0 0 0 0 8133 1 0 0 0 0 9 63 1 0 0 0 0 9 80 1 0 0 0 0 10 60 2 0 0 0 0 11 62 2 0 0 0 0 68 12 1 1 0 0 0 12 85 1 0 0 0 0 66 13 1 6 0 0 0 13156 1 0 0 0 0 72 14 1 6 0 0 0 14162 1 0 0 0 0 73 15 1 6 0 0 0 15 86 1 0 0 0 0 16 85 2 0 0 0 0 17 23 1 0 0 0 0 17 29 1 0 0 0 0 17 31 1 0 0 0 0 18 28 1 0 0 0 0 18 30 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 48 2 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 46 1 0 0 0 0 22 52 1 0 0 0 0 22 60 1 0 0 0 0 22123 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 88 1 0 0 0 0 24 89 1 0 0 0 0 25 90 1 0 0 0 0 25 91 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 92 1 1 0 0 0 27 30 1 0 0 0 0 27 93 1 0 0 0 0 27 94 1 0 0 0 0 28 95 1 0 0 0 0 28 96 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 97 1 0 0 0 0 30 98 1 0 0 0 0 30 99 1 0 0 0 0 31100 1 0 0 0 0 31101 1 0 0 0 0 31102 1 0 0 0 0 32 35 1 0 0 0 0 32103 1 0 0 0 0 32104 1 0 0 0 0 33 36 1 0 0 0 0 33105 1 0 0 0 0 33106 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35107 1 0 0 0 0 35108 1 0 0 0 0 36109 1 0 0 0 0 36110 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 38 40 2 0 0 0 0 39 42 2 0 0 0 0 40111 1 0 0 0 0 41112 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43115 1 0 0 0 0 44 45 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45118 1 0 0 0 0 45119 1 0 0 0 0 46 49 1 0 0 0 0 47 49 2 0 0 0 0 47120 1 0 0 0 0 48 50 1 0 0 0 0 48121 1 0 0 0 0 49 51 1 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 2 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 55 56 2 0 0 0 0 56 58 1 0 0 0 0 57 59 2 0 0 0 0 57 62 1 0 0 0 0 58 61 2 0 0 0 0 59 61 1 0 0 0 0 60 65 1 0 0 0 0 61 67 1 0 0 0 0 62 63 1 0 0 0 0 63 71 1 1 0 0 0 64 66 1 0 0 0 0 64 68 1 0 0 0 0 64 75 1 6 0 0 0 64126 1 0 0 0 0 65 77 2 0 0 0 0 65 78 1 0 0 0 0 66 69 1 0 0 0 0 66127 1 0 0 0 0 67130 1 0 0 0 0 67131 1 0 0 0 0 67132 1 0 0 0 0 68 70 1 0 0 0 0 68128 1 0 0 0 0 69 72 1 0 0 0 0 69 76 1 6 0 0 0 69129 1 0 0 0 0 70 73 1 0 0 0 0 70 79 1 1 0 0 0 70134 1 0 0 0 0 71136 1 0 0 0 0 71137 1 0 0 0 0 71138 1 0 0 0 0 72 74 1 0 0 0 0 72135 1 0 0 0 0 73 81 1 0 0 0 0 73139 1 0 0 0 0 74 82 1 0 0 0 0 74 84 1 1 0 0 0 74140 1 0 0 0 0 75141 1 0 0 0 0 75142 1 0 0 0 0 75143 1 0 0 0 0 76144 1 0 0 0 0 76145 1 0 0 0 0 76146 1 0 0 0 0 77 83 1 0 0 0 0 77147 1 0 0 0 0 78148 1 0 0 0 0 78149 1 0 0 0 0 78150 1 0 0 0 0 79151 1 0 0 0 0 79152 1 0 0 0 0 79153 1 0 0 0 0 80 81 2 0 0 0 0 80155 1 0 0 0 0 81154 1 0 0 0 0 82 83 2 0 0 0 0 82157 1 0 0 0 0 83161 1 0 0 0 0 84158 1 0 0 0 0 84159 1 0 0 0 0 84160 1 0 0 0 0 85 87 1 0 0 0 0 86163 1 0 0 0 0 86164 1 0 0 0 0 86165 1 0 0 0 0 87166 1 0 0 0 0 87167 1 0 0 0 0 87168 1 0 0 0 0 M END $$$$