BDJ9H1 -OEChem-04022113473D 42 45 0 1 0 0 0 0 0999 V2000 -6.7384 -0.6961 0.3958 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 1.8259 -0.2806 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -1.1422 0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 0.3968 0.0511 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4214 0.0966 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.0402 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 2.4956 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 2.7239 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 -0.4662 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 0.3495 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3701 -1.0176 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 -0.5226 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 0.7479 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 -2.0047 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 -0.2300 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 -1.5844 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7681 -1.5212 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 0.4232 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1276 -1.5739 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 0.3707 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -0.6278 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 0.9163 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 0.2163 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 3.0331 0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3007 2.8952 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 2.5856 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 3.7628 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 2.0716 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -1.4970 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 -0.1092 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 -2.0217 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 1.8001 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -3.0599 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0649 0.0725 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -2.3271 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 -2.2624 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 1.2016 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4877 -2.3590 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 1.1131 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0257 0.9667 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8563 1.7282 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3122 1.0450 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$