B3BGZ7 -OEChem-04042104003D 41 43 0 0 0 0 0 0 0999 V2000 1.8196 1.0880 3.2752 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 2.2839 -2.6170 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -3.5887 -0.7827 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.5202 0.4818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 0.4898 -1.7306 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -3.6086 -0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 0.8390 0.2186 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 2.1533 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 2.3807 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 2.2829 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 1.8111 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 1.7279 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 1.1235 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 1.5985 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 2.0702 -0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -0.2387 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 0.2350 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7508 -0.3732 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7789 -1.1667 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 -0.7915 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 -0.0342 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -2.0873 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -1.3301 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -2.3567 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 -1.4356 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6826 -2.2292 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 -2.3636 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 2.8532 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 3.1120 -1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 2.5486 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 1.7107 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 1.4631 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7882 0.3428 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0837 -1.1305 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -0.6320 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9104 0.7620 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7711 -1.5234 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3845 -1.5405 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 -2.9526 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -3.1908 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 -3.5891 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 5 13 2 0 0 0 0 6 24 1 0 0 0 0 6 41 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 25 1 0 0 0 0 18 33 1 0 0 0 0 19 26 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$