@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443658
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    28.6245   -12.6314     0.6030	O.3	1	noname	-0.3198
2	C1    29.9414   -12.3443     0.6350	C.2	1	noname	0.1562
3	C2    28.0204   -11.4253     0.6090	C.2	1	noname	0.1128
4	N1    30.1194   -11.0163     0.6591	N.2	1	noname	-0.1358
5	N2    30.9404   -13.2443     0.6421	N.3	1	noname	-0.0414
6	N3    28.9524   -10.4593     0.6431	N.2	1	noname	-0.1261
7	C3    26.6344   -11.2093     0.5831	C.2	1	noname	0.0057
8	C4    30.6973   -14.6433     0.6141	C.3	1	noname	0.0458
9	C5    25.6123   -12.1563     0.5471	C.2	1	noname	0.0020
10	C6    25.9923    -9.9683     0.5861	C.2	1	noname	-0.0618
11	C7    31.9643   -15.3872     0.6241	C.2	1	noname	0.0099
12	C8    24.4043   -11.4632     0.5302	C.2	1	noname	0.0650
13	C9    25.6083   -13.5612     0.5292	C.2	1	noname	-0.0246
14	N4    24.6603   -10.1492     0.5532	N.3	1	noname	-0.0016
15	N5    32.2542   -16.2081     1.6672	N.2	1	noname	-0.2456
16	C10    32.8852   -15.2691    -0.4337	C.2	1	noname	-0.0179
17	N6    23.2173   -12.1162     0.4942	N.2	1	noname	-0.2522
18	C11    24.3693   -14.2282     0.4922	C.2	1	noname	-0.0520
19	C12    33.4022   -16.9271     1.7462	C.2	1	noname	-0.0007
20	C13    34.0832   -16.0001    -0.3797	C.2	1	noname	-0.0391
21	C14    23.1752   -13.4762     0.4743	C.2	1	noname	-0.0029
22	C15    34.3501   -16.8370     0.7163	C.2	1	noname	-0.0263
23	H1    31.8553   -12.9233     0.6701	H	1	noname	0.1322
24	H2    30.1343   -14.9052    -0.2838	H	1	noname	0.0500
25	H3    30.1083   -14.9232     1.4901	H	1	noname	0.0500
26	H4    26.4593    -9.0612     0.6092	H	1	noname	0.0797
27	H5    26.4803   -14.0922     0.5422	H	1	noname	0.0630
28	H6    23.9933    -9.4452     0.5482	H	1	noname	0.1537
29	H7    32.6882   -14.6611    -1.2287	H	1	noname	0.0642
30	H8    24.3332   -15.2481     0.4772	H	1	noname	0.0639
31	H9    33.5731   -17.5290     2.5522	H	1	noname	0.0839
32	H10    34.7601   -15.9241    -1.1386	H	1	noname	0.0623
33	H11    22.2741   -13.9541     0.4473	H	1	noname	0.0839
34	H12    35.2181   -17.3710     0.7613	H	1	noname	0.0638
@<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	16	20	2
28	16	29	1
29	17	21	2
30	18	21	1
31	18	30	1
32	19	22	2
33	19	31	1
34	20	22	1
35	20	32	1
36	21	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1