B3HNL6 -OEChem-04022105263D 46 50 0 0 0 0 0 0 0999 V2000 -8.0765 -0.4290 0.3736 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 2.0077 1.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7921 0.5889 -0.3761 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 1.0508 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -1.7492 1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 0.2931 -0.1855 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5674 -1.8781 -1.1348 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 1.1849 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 0.4092 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 1.9135 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.1157 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 0.2949 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 -0.6010 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 1.1825 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 0.9055 -1.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 -0.8515 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -1.3789 1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 0.6368 -1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 -0.2484 -0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 -2.0737 1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 0.1718 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -0.8221 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3144 1.0406 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -0.9451 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3924 -0.0600 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6948 0.9406 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8061 -1.6995 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 0.4000 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0402 1.8943 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -0.4143 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 1.3229 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 2.3156 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 2.7638 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 0.1320 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4049 -0.8852 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 1.6057 -2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -1.4455 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 1.1234 -2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9545 -0.4569 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -2.1157 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -0.3935 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 -2.7719 2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 -1.5028 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 1.8385 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2101 1.6237 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6169 -2.3201 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 27 2 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$