B2DG3N -OEChem-04022104043D 42 46 0 1 0 0 0 0 0999 V2000 -0.2285 2.0427 -0.6508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7671 -1.1188 2.0876 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 3.7290 0.7122 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2362 0.7862 0.4734 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 3.8489 0.4052 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 0.0021 -1.4661 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 -1.6872 0.7284 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9272 -0.4828 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 0.6292 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 0.2722 1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 2.0431 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -2.7260 0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 -0.6592 -1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 2.6618 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4777 -2.7515 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 -1.7592 -1.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 2.4757 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8409 2.8440 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 1.0669 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -0.5485 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 -1.0154 -0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -1.3624 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2359 -2.3723 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 -2.7102 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -3.2083 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 -2.1481 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 0.3315 2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 0.9228 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -1.6377 2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 2.6348 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 2.1361 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 -3.4943 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 0.1135 -2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 -3.5177 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -1.9061 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 3.1893 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 2.5604 -2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.4434 1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 -0.9735 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.7689 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 -3.3823 1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -4.2606 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 29 1 0 0 0 0 3 5 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 38 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 12 32 1 0 0 0 0 13 16 2 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$