B1KMH8 -OEChem-04012119012D 39 42 0 0 0 0 0 0 0999 V2000 6.7500 0.9693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 4.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 -3.7921 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6990 -2.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -1.7043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 -0.7533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -3.2921 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6622 3.3172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 2.7294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -3.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 -3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3432 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -4.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 2.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 -4.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 4.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -3.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 0.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9126 -0.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -5.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -5.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -5.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 1.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 4.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 3.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 5.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 19 2 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 16 24 2 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 26 2 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 26 28 1 0 0 0 0 26 36 1 0 0 0 0 27 28 2 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$