LB70KQ -OEChem-05022322553D 35 38 0 0 0 0 0 0 0999 V2000 -4.0388 3.5694 -0.0013 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 -2.7302 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.3976 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 2.0777 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -3.6422 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 0.4233 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 -0.9539 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 0.8260 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -0.3271 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.2355 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5873 -1.8715 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 -0.2567 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 1.6278 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 1.6309 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 -2.3085 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 -2.3123 1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 1.0211 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 2.1200 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3589 2.4164 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 2.4194 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 2.8121 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1913 -3.1879 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -3.1916 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 -1.1438 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 1.3279 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 1.3334 2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -1.9833 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -1.9900 2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 1.1555 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 3.1235 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -2.8939 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 2.7222 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8064 2.7276 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 -3.5617 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6461 -3.5684 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 20 2 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 23 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$