D03LAB -OEChem-02041521022D 51 53 0 0 0 0 0 0 0999 V2000 7.2242 1.4201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 1.7291 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2545 1.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 1.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9152 0.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5332 2.3712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 2.4099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5113 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9181 3.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9126 3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5817 4.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 2.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 3.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 3.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9550 4.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1081 4.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8811 4.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 3.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9966 4.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 4.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 6 19 2 0 0 0 0 7 24 2 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 31 1 0 0 0 0 9 20 1 0 0 0 0 9 33 1 0 0 0 0 10 25 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 32 1 0 0 0 0 18 34 1 0 0 0 0 20 22 2 0 0 0 0 21 26 2 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$