BKRD42
-OEChem-04012114143D
65 68 0 0 0 0 0 0 0999 V2000
-6.8789 -1.7815 -1.5463 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1177 -0.1514 1.2994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1305 -0.1707 -1.0673 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6158 0.3778 -0.6939 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4912 -0.9677 -0.1296 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2752 -0.0767 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 -0.3107 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3024 0.0934 -1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2097 -1.3964 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1699 1.2171 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5881 0.0792 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6470 -0.0358 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8417 0.3932 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 0.1746 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8608 -2.5419 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5004 2.3362 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8134 0.2171 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 -1.4304 1.8585 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7447 1.2541 1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5361 0.0803 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3750 0.6041 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8026 -3.7213 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4059 3.4922 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9865 0.3563 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4425 -2.6100 2.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 2.4103 2.7394 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7095 0.2193 -3.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0935 -3.7554 2.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9807 3.5292 2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9347 0.3573 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2915 -0.8553 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1482 1.3712 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2928 1.2495 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0615 -0.0072 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2138 -0.9709 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8236 0.3078 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 -1.3564 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -0.5265 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 1.1321 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6244 0.5697 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -1.0784 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 1.4510 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8501 -0.1813 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2580 -0.8852 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1433 0.7325 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4052 -2.5561 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0654 2.3562 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8985 0.1896 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9519 -0.5833 2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3057 0.4216 2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6146 -0.0137 -2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3860 0.0447 -2.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2975 1.6648 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3053 -4.6146 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8908 4.3660 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9416 0.4565 -0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8853 -2.6391 3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1049 2.4426 3.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6699 0.2220 -4.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 -4.6744 2.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9101 4.4305 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8483 0.4642 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5707 2.2874 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9942 -1.8456 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6770 2.0457 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 2 0 0 0 0
2 34 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 35 1 0 0 0 0
4 21 1 0 0 0 0
4 31 1 0 0 0 0
4 32 1 0 0 0 0
5 31 1 0 0 0 0
5 34 1 0 0 0 0
5 64 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
7 8 1 0 0 0 0
7 36 1 0 0 0 0
7 37 1 0 0 0 0
8 12 1 0 0 0 0
8 38 1 0 0 0 0
8 39 1 0 0 0 0
9 15 2 0 0 0 0
9 18 1 0 0 0 0
10 16 2 0 0 0 0
10 19 1 0 0 0 0
11 17 2 0 0 0 0
11 20 1 0 0 0 0
12 13 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
13 14 1 0 0 0 0
13 42 1 0 0 0 0
13 43 1 0 0 0 0
14 21 1 0 0 0 0
14 44 1 0 0 0 0
14 45 1 0 0 0 0
15 22 1 0 0 0 0
15 46 1 0 0 0 0
16 23 1 0 0 0 0
16 47 1 0 0 0 0
17 24 1 0 0 0 0
17 48 1 0 0 0 0
18 25 2 0 0 0 0
18 49 1 0 0 0 0
19 26 2 0 0 0 0
19 50 1 0 0 0 0
20 27 2 0 0 0 0
20 51 1 0 0 0 0
21 52 1 0 0 0 0
21 53 1 0 0 0 0
22 28 2 0 0 0 0
22 54 1 0 0 0 0
23 29 2 0 0 0 0
23 55 1 0 0 0 0
24 30 2 0 0 0 0
24 56 1 0 0 0 0
25 28 1 0 0 0 0
25 57 1 0 0 0 0
26 29 1 0 0 0 0
26 58 1 0 0 0 0
27 30 1 0 0 0 0
27 59 1 0 0 0 0
28 60 1 0 0 0 0
29 61 1 0 0 0 0
30 62 1 0 0 0 0
32 33 2 0 0 0 0
32 63 1 0 0 0 0
33 34 1 0 0 0 0
33 65 1 0 0 0 0
M END
$$$$