@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443656
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8821   -18.5575     0.5170	O.3	1	noname	-0.3199
2	C1     5.1991   -18.2714     0.5300	C.2	1	noname	0.1562
3	C2     3.2780   -17.3514     0.5250	C.2	1	noname	0.1127
4	N1     5.3781   -16.9433     0.5450	N.2	1	noname	-0.1360
5	N2     6.1991   -19.1714     0.5300	N.3	1	noname	-0.0425
6	N3     4.2110   -16.3853     0.5420	N.2	1	noname	-0.1262
7	C3     1.8910   -17.1343     0.5200	C.2	1	noname	0.0057
8	C4     5.9550   -20.5704     0.5191	C.3	1	noname	0.0286
9	C5     0.8689   -18.0813     0.4991	C.2	1	noname	0.0020
10	C6     1.2499   -15.8933     0.5371	C.2	1	noname	-0.0618
11	C7     7.2300   -21.3104     0.5351	C.2	1	noname	-0.0284
12	C8    -0.3391   -17.3883     0.5041	C.2	1	noname	0.0650
13	C9     0.8649   -19.4863     0.4741	C.2	1	noname	-0.0246
14	N4    -0.0821   -16.0742     0.5281	N.3	1	noname	-0.0017
15	C10     7.5979   -22.1334    -0.5468	C.2	1	noname	-0.0181
16	C11     8.0930   -21.2034     1.6442	C.2	1	noname	-0.0181
17	N5    -1.5262   -18.0412     0.4882	N.2	1	noname	-0.2522
18	C12    -0.3751   -20.1533     0.4572	C.2	1	noname	-0.0520
19	C13     8.8179   -22.8243    -0.5007	C.2	1	noname	-0.0006
20	C14     9.3030   -21.9143     1.6442	C.2	1	noname	-0.0006
21	C15    -1.5692   -19.4013     0.4642	C.2	1	noname	-0.0029
22	N6     9.6239   -22.6933     0.5822	N.2	1	noname	-0.2538
23	H1     7.1140   -18.8504     0.5391	H	1	noname	0.1321
24	H2     5.3779   -20.8224    -0.3738	H	1	noname	0.0483
25	H3     5.3689   -20.8504     1.3981	H	1	noname	0.0483
26	H4     1.7179   -14.9862     0.5541	H	1	noname	0.0797
27	H5     1.7369   -20.0163     0.4691	H	1	noname	0.0630
28	H6    -0.7492   -15.3701     0.5362	H	1	noname	0.1537
29	H7     6.9869   -22.2283    -1.3598	H	1	noname	0.0642
30	H8     7.8439   -20.6153     2.4402	H	1	noname	0.0642
31	H9    -0.4102   -21.1733     0.4382	H	1	noname	0.0639
32	H10     9.0999   -23.4223    -1.2787	H	1	noname	0.0839
33	H11     9.9389   -21.8453     2.4393	H	1	noname	0.0839
34	H12    -2.4703   -19.8792     0.4522	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	23	1
10	7	9	1
11	7	10	2
12	8	11	1
13	8	24	1
14	8	25	1
15	9	12	2
16	9	13	1
17	10	14	1
18	10	26	1
19	11	15	2
20	11	16	1
21	12	17	1
22	12	14	1
23	13	18	2
24	13	27	1
25	14	28	1
26	15	19	1
27	15	29	1
28	16	20	2
29	16	30	1
30	17	21	2
31	18	21	1
32	18	31	1
33	19	22	2
34	19	32	1
35	20	22	1
36	20	33	1
37	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1