BSI1E2 -OEChem-04042101423D 29 31 0 0 0 0 0 0 0999 V2000 -3.4147 1.1353 2.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 1.3553 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -0.7846 0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 0.6949 0.4317 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -0.6804 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 0.3651 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 -0.6089 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 0.2393 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 1.6054 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -1.7660 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -0.0250 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 -1.1253 -1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 2.1924 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 0.0429 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7871 -1.7618 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -1.0576 -2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 -0.4733 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 0.6523 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 2.0310 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 -2.6054 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 0.3753 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 1.5332 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -1.5840 -2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 3.1304 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 -2.6002 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 -1.4599 -2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -0.4549 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 0.3314 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 1.1213 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 8 2 0 0 0 0 3 15 1 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$