BA2N9I -OEChem-04022107343D 49 52 0 0 0 0 0 0 0999 V2000 5.2413 0.3476 1.4134 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.5204 -0.9375 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 1.0764 3.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 -0.5964 -0.9661 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7665 -0.0652 -0.6313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.5562 1.7509 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 1.5865 -1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 2.7032 -1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 0.3218 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 3.1932 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 -0.4813 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -1.6460 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 -0.1185 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 -1.2905 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 4.2575 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8719 3.7540 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.2382 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -2.8395 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 0.1071 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 0.3153 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -2.1656 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -3.6985 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7602 -0.6819 -1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -3.3695 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 0.6837 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 0.0138 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1485 -0.7760 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 -0.4288 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.9501 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 1.4085 -2.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 3.5535 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 2.3740 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 2.3478 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -1.4729 -1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 0.2407 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 5.1449 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 4.5693 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 3.8660 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 4.5279 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4139 4.2030 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 2.9715 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -3.0983 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 0.4489 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -1.9190 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 -4.6400 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -0.9578 -2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 0.7982 2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 -4.0576 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -1.1202 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 3 25 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 27 2 0 0 0 0 23 46 1 0 0 0 0 24 48 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$