BW3N0X -OEChem-04022105463D 43 44 0 0 0 0 0 0 0999 V2000 4.5530 0.9844 0.6788 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 0.8711 -0.3979 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -0.0667 0.4257 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0206 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 0.4558 1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 1.9770 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -0.1253 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 1.3511 -1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 0.3186 -1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 0.0131 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 -0.0987 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 -1.2509 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -1.3942 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 0.8145 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -1.1427 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -1.5009 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 -1.7820 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3919 0.4267 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5187 -0.8715 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 1.5647 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 1.2583 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -0.3198 2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 2.2985 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 2.8814 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 -0.4115 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -1.0358 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5363 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 2.1183 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 -0.5344 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 1.0693 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -0.8867 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -2.1087 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 -2.1204 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1317 1.8289 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -2.0523 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 -0.9930 -2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -0.2925 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -1.5583 1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5919 -0.6961 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 -2.4429 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5737 -2.7938 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2058 1.1357 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -1.1735 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$