B85NMA -OEChem-04022117223D 40 42 0 0 0 0 0 0 0999 V2000 -0.3339 0.6610 0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 -0.8930 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 2.3190 -0.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 1.7046 -0.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 -2.3368 0.0985 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6146 -2.8965 0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 1.6351 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 0.9665 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -0.2667 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 1.0084 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 0.6362 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6776 0.6884 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6652 -0.0010 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 0.0168 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 0.0691 1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 0.4033 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 -1.3653 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 -1.8024 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -0.6249 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 -0.5902 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5853 -1.9224 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 2.5910 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 2.3086 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 2.2688 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 -0.2118 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 0.8534 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 0.9419 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 -0.2210 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 -0.1491 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 -1.7507 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -2.4643 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 -2.4488 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 -1.2486 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5081 -1.2038 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7803 0.4403 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7733 -0.9003 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 -0.3203 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 3.6375 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3273 -3.8668 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4996 -2.6748 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 3 22 1 0 0 0 0 4 16 1 0 0 0 0 4 22 2 0 0 0 0 5 17 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$