B4PK8D
-OEChem-04022107122D
59 63 0 1 0 0 0 0 0999 V2000
11.3138 2.1804 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.0926 3.5772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.6958 3.3560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3903 0.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5714 -1.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1537 -0.4679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -1.3814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 1.2547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0714 -2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5714 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5714 -3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8804 -2.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2623 -2.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5714 -1.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1591 -0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 -0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -0.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7414 0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7360 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3238 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9225 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2092 2.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6270 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5048 2.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6790 -4.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1540 -3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9887 -3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4637 -4.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1904 -2.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4468 -1.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6959 -1.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9523 -2.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2899 -0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3300 0.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6019 -0.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4058 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9881 -0.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 0.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9404 0.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6703 2.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6146 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9289 -2.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7474 -2.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1669 0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 1.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8259 2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2625 3.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8736 3.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 33 1 0 0 0 0
2 33 1 0 0 0 0
3 33 1 0 0 0 0
4 16 2 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
5 16 1 0 0 0 0
6 15 1 0 0 0 0
6 18 1 0 0 0 0
6 46 1 0 0 0 0
7 17 1 0 0 0 0
7 23 2 0 0 0 0
8 18 2 0 0 0 0
8 26 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 13 1 0 0 0 0
10 11 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 14 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 15 1 6 0 0 0
14 43 1 0 0 0 0
15 44 1 0 0 0 0
15 45 1 0 0 0 0
16 17 1 0 0 0 0
17 19 2 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
20 25 2 0 0 0 0
20 47 1 0 0 0 0
21 24 2 0 0 0 0
21 48 1 0 0 0 0
22 29 2 0 0 0 0
22 30 1 0 0 0 0
23 24 1 0 0 0 0
23 27 1 0 0 0 0
24 49 1 0 0 0 0
25 28 1 0 0 0 0
25 50 1 0 0 0 0
26 28 2 0 0 0 0
26 51 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 33 1 0 0 0 0
29 31 1 0 0 0 0
29 55 1 0 0 0 0
30 32 2 0 0 0 0
30 56 1 0 0 0 0
31 34 2 0 0 0 0
31 57 1 0 0 0 0
32 34 1 0 0 0 0
32 58 1 0 0 0 0
34 59 1 0 0 0 0
M END
$$$$