B12PGZ
-OEChem-04012119392D
51 53 0 1 0 0 0 0 0999 V2000
7.4321 0.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 1.7202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 1.3601 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.9641 2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9184 1.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6615 2.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6126 1.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4536 3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3557 2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1968 3.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 3.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 2.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 2.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 2.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3576 2.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 1.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3451 0.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8384 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6273 0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4069 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7415 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8640 3.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9454 2.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0678 4.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6086 3.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 11 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
4 34 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 35 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 27 1 0 0 0 0
7 8 1 0 0 0 0
7 28 1 0 0 0 0
7 29 1 0 0 0 0
8 9 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
12 15 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 14 1 0 0 0 0
13 16 2 0 0 0 0
14 17 1 0 0 0 0
14 18 2 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
16 38 1 0 0 0 0
17 23 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 22 1 0 0 0 0
18 41 1 0 0 0 0
19 24 1 0 0 0 0
19 42 1 0 0 0 0
20 25 2 0 0 0 0
20 43 1 0 0 0 0
21 22 2 0 0 0 0
21 44 1 0 0 0 0
22 45 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
24 26 2 0 0 0 0
24 49 1 0 0 0 0
25 26 1 0 0 0 0
25 50 1 0 0 0 0
26 51 1 0 0 0 0
M END
$$$$