B5D3EM -OEChem-04022102362D 45 44 0 1 0 0 0 0 0999 V2000 8.2658 4.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 5.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 6.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1623 1.1455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 7.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 7.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 6.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 7.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5246 5.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 2.1114 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7140 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9728 3.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3871 2.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8694 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 7.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 7.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 7.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1975 6.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 5.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 8.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 8.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 7.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 3.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 2.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5348 3.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3285 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5475 1.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9859 2.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 2.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0359 1.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5975 0.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3569 0.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 13 2 0 0 0 0 3 20 1 0 0 0 0 3 44 1 0 0 0 0 4 21 1 0 0 0 0 4 45 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$