B3WDG4 -OEChem-04022116403D 41 44 0 1 0 0 0 0 0999 V2000 4.7188 -0.2672 -0.0683 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 -0.2242 0.0117 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.6742 3.3267 0.4164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 -0.0452 -0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -1.8125 0.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3382 -3.5109 0.0978 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 2.1338 0.6407 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2103 2.0019 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 0.7633 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 0.9486 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -0.3951 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 2.8133 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.2986 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -1.1378 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9376 -2.6149 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 -2.2234 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -0.4995 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 -3.6499 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 0.3638 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 1.7405 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 2.2844 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3993 1.3028 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 2.7686 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9233 1.7170 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5499 2.9666 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 0.4068 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 0.8643 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 0.8219 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 1.2965 -1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3951 -0.8416 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 -1.0629 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 2.1300 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 3.6589 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 -2.8616 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 3.8192 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 4.0154 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 0.9199 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -4.6804 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 2.3490 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 3.3418 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 1.4326 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 37 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$