BD1RI5 -OEChem-04022103193D 45 48 0 0 0 0 0 0 0999 V2000 -1.0927 3.8513 -0.9348 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 -3.2246 0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 0.9574 -1.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0111 0.5724 1.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7114 -1.2761 0.6081 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -1.3437 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 1.0678 0.8952 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 0.3677 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -1.1059 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 0.9528 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -1.6279 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 -1.8478 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -2.2121 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -0.5433 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 0.0859 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 1.2236 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9523 2.3444 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 -1.8272 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 -0.5939 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -0.0514 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 -2.1197 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -1.5775 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 0.0063 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 2.6126 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8904 3.1716 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3222 -0.5350 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 1.0778 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 0.0267 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 1.5675 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 -2.3731 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -3.2024 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 0.8420 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8908 2.7986 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -2.8322 -0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 -1.8983 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.2123 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -2.9234 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 -1.9731 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 4.2490 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 -1.3708 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 1.5278 1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 -3.5099 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 1.1605 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4649 -0.3588 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7296 2.4022 2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 42 1 0 0 0 0 3 20 1 0 0 0 0 3 43 1 0 0 0 0 4 15 2 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 35 1 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 28 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 11 21 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 24 2 0 0 0 0 16 32 1 0 0 0 0 17 25 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 29 2 0 0 0 0 27 41 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$