BA3HE1 -OEChem-04012114062D 58 63 0 0 0 0 0 0 0999 V2000 2.9176 -5.0547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 4.1470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.9799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.0201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 5.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5486 3.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 1.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 5.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 5.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 3.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4207 4.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 3.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6764 3.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -0.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -2.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 38 1 0 0 0 0 12 19 1 0 0 0 0 12 39 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 23 2 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 27 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 25 50 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 M END $$$$