BL1DN7 -OEChem-04022116033D 28 28 0 0 0 0 0 0 0999 V2000 -4.1531 1.4572 0.6799 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 0.4945 -0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 -2.5250 0.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -1.8672 0.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5472 1.6350 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -0.4756 -0.1922 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.3425 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 0.0582 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 -0.2332 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 2.3352 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 0.7594 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 -1.4835 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 2.0435 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 0.8220 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 -2.7832 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -1.5798 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3308 -0.6951 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 3.3398 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 2.6216 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -1.6482 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -1.0971 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 2.8266 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -0.6635 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -2.6372 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -3.1804 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 -3.5331 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 1.3018 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -3.4285 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$