HT2LIG000476
3D
Structure written by MMmdl.
63 67 0 0 1 0 999 V2000
5.2050 -2.3178 -0.8316 C 0 0 0 0 0 0
4.6740 -1.0005 -0.5194 N 0 0 0 0 0 0
5.4248 0.1639 -0.5763 C 0 0 0 0 0 0
4.6011 1.1916 -0.2257 C 0 0 0 0 0 0
5.0086 2.5461 -0.2001 N 0 0 0 0 0 0
4.2375 3.6447 0.1358 C 0 0 0 0 0 0
3.1008 3.6363 0.6064 O 0 0 0 0 0 0
4.9593 4.7540 -0.1496 O 0 0 0 0 0 0
4.4745 6.0954 0.0010 C 0 0 0 0 0 0
5.6252 6.9693 -0.5273 C 0 0 0 0 0 0
4.2251 6.4398 1.4843 C 0 0 0 0 0 0
3.2224 6.3562 -0.8653 C 0 0 0 0 0 0
3.3106 0.6776 0.0716 C 0 0 0 0 0 0
3.3659 -0.6752 -0.1359 C 0 0 0 0 0 0
2.2901 -1.6865 0.0158 C 0 0 0 0 0 0
2.5147 -2.8946 0.0735 O 0 0 0 0 0 0
1.0459 -1.1972 0.0208 N 0 0 0 0 0 0
-0.1434 -2.0374 0.0593 C 0 0 0 0 0 0
-1.4328 -1.2125 0.1741 C 0 0 0 0 0 0
-2.6815 -1.9742 0.1530 N 0 0 0 0 0 0
-3.8510 -1.2550 0.2190 N 0 0 0 0 0 0
-4.7200 -2.2273 0.1722 C 0 0 0 0 0 0
-6.1822 -2.0736 0.2079 C 0 0 0 0 0 0
-6.7813 -0.7986 0.3068 C 0 0 0 0 0 0
-8.1828 -0.6715 0.3409 C 0 0 0 0 0 0
-8.9969 -1.8173 0.2759 C 0 0 0 0 0 0
-8.4127 -3.0947 0.1772 C 0 0 0 0 0 0
-7.0073 -3.2456 0.1424 C 0 0 0 0 0 0
-6.4254 -4.6440 0.0379 C 0 0 0 0 0 0
-7.1271 -5.6548 -0.0224 O 0 0 0 0 0 0
-4.9408 -4.7304 0.0122 C 0 0 0 0 0 0
-4.1462 -5.8933 -0.0751 C 0 0 0 0 0 0
-2.7389 -5.7823 -0.0853 C 0 0 0 0 0 0
-2.1253 -4.5101 -0.0106 C 0 0 0 0 0 0
-2.8939 -3.3531 0.0722 C 0 0 0 0 0 0
-4.2589 -3.5194 0.0813 C 0 0 0 0 0 0
6.2370 -2.2415 -1.1740 H 0 0 0 0 0 0
5.1776 -2.9475 0.0585 H 0 0 0 0 0 0
4.6101 -2.7814 -1.6192 H 0 0 0 0 0 0
6.4668 0.1440 -0.8637 H 0 0 0 0 0 0
5.9343 2.7718 -0.5236 H 0 0 0 0 0 0
5.3776 8.0299 -0.4695 H 0 0 0 0 0 0
6.5400 6.8131 0.0459 H 0 0 0 0 0 0
5.8495 6.7410 -1.5702 H 0 0 0 0 0 0
3.4050 5.8595 1.9079 H 0 0 0 0 0 0
5.1100 6.2475 2.0918 H 0 0 0 0 0 0
3.9654 7.4917 1.6050 H 0 0 0 0 0 0
2.3535 5.8012 -0.5107 H 0 0 0 0 0 0
2.9476 7.4112 -0.8538 H 0 0 0 0 0 0
3.3928 6.0705 -1.9039 H 0 0 0 0 0 0
2.4380 1.2306 0.3881 H 0 0 0 0 0 0
0.9456 -0.1962 -0.0490 H 0 0 0 0 0 0
-0.0582 -2.7174 0.9090 H 0 0 0 0 0 0
-0.1579 -2.6310 -0.8561 H 0 0 0 0 0 0
-1.4159 -0.6329 1.0982 H 0 0 0 0 0 0
-1.4780 -0.4925 -0.6443 H 0 0 0 0 0 0
-6.1628 0.0864 0.3575 H 0 0 0 0 0 0
-8.6334 0.3077 0.4171 H 0 0 0 0 0 0
-10.0725 -1.7175 0.3020 H 0 0 0 0 0 0
-9.0519 -3.9659 0.1283 H 0 0 0 0 0 0
-4.6205 -6.8638 -0.1328 H 0 0 0 0 0 0
-2.1293 -6.6734 -0.1502 H 0 0 0 0 0 0
-1.0488 -4.4746 -0.0192 H 0 0 0 0 0 0
1 2 1 0 0 0
1 37 1 0 0 0
1 38 1 0 0 0
1 39 1 0 0 0
2 14 1 0 0 0
2 3 1 0 0 0
3 4 2 0 0 0
3 40 1 0 0 0
4 5 1 0 0 0
4 13 1 0 0 0
5 6 1 0 0 0
5 41 1 0 0 0
6 7 2 0 0 0
6 8 1 0 0 0
8 9 1 0 0 0
9 10 1 0 0 0
9 11 1 0 0 0
9 12 1 0 0 0
10 42 1 0 0 0
10 43 1 0 0 0
10 44 1 0 0 0
11 45 1 0 0 0
11 46 1 0 0 0
11 47 1 0 0 0
12 48 1 0 0 0
12 49 1 0 0 0
12 50 1 0 0 0
13 14 2 0 0 0
13 51 1 0 0 0
14 15 1 0 0 0
15 16 2 0 0 0
15 17 1 0 0 0
17 18 1 0 0 0
17 52 1 0 0 0
18 19 1 0 0 0
18 53 1 0 0 0
18 54 1 0 0 0
19 20 1 0 0 0
19 55 1 0 0 0
19 56 1 0 0 0
20 35 1 0 0 0
20 21 1 0 0 0
21 22 2 0 0 0
22 36 1 0 0 0
22 23 1 0 0 0
23 28 2 0 0 0
23 24 1 0 0 0
24 25 2 0 0 0
24 57 1 0 0 0
25 26 1 0 0 0
25 58 1 0 0 0
26 27 2 0 0 0
26 59 1 0 0 0
27 28 1 0 0 0
27 60 1 0 0 0
28 29 1 0 0 0
29 30 2 0 0 0
29 31 1 0 0 0
31 36 1 0 0 0
31 32 2 0 0 0
32 33 1 0 0 0
32 61 1 0 0 0
33 34 2 0 0 0
33 62 1 0 0 0
34 35 1 0 0 0
34 63 1 0 0 0
35 36 2 0 0 0
M END
> <s_m_entry_id>
364049
> <s_m_entry_name>
HT2LIG000476.1
$$$$