@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441555
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7713    -8.4197     1.0721	O.2	1	noname	-0.2810
2	C1     3.9113    -7.9837     0.7982	C.2	1	noname	0.0635
3	N1     4.0353    -6.6856     0.4022	N.3	1	noname	0.0141
4	C2     5.0613    -8.8047     0.8932	C.2	1	noname	0.0621
5	C3     5.2393    -6.1285     0.0852	C.2	1	noname	-0.0814
6	N2     4.9673   -10.0997     1.2873	N.2	1	noname	-0.2190
7	C4     6.3223    -8.2496     0.5692	C.2	1	noname	0.0477
8	C5     6.4084    -6.8935     0.1603	C.2	1	noname	-0.0120
9	C6     6.0573   -10.8927     1.3803	C.2	1	noname	0.0554
10	C7     7.4434    -9.0996     0.6773	C.2	1	noname	0.0579
11	N3     7.2723   -10.3846     1.0754	N.2	1	noname	-0.2206
12	N4     8.6894    -8.6545     0.3803	N.3	1	noname	-0.1002
13	C8     9.8654    -9.4525     0.4624	C.3	1	noname	0.0128
14	C9    10.2684    -9.6745     1.9365	C.3	1	noname	-0.0373
15	C10    10.9584    -8.7265    -0.3435	C.3	1	noname	-0.0373
16	C11    11.2944   -10.8125     2.0815	C.3	1	noname	-0.0518
17	C12    12.3154    -9.4515    -0.3494	C.3	1	noname	-0.0518
18	C13    12.7584   -10.3455     2.0286	C.3	1	noname	-0.0532
19	C14    13.0664    -9.2634     0.9806	C.3	1	noname	-0.0532
20	H1     3.2352    -6.1405     0.3442	H	1	noname	0.1368
21	H2     5.2853    -5.1514    -0.2066	H	1	noname	0.0754
22	H3     7.3053    -6.4694    -0.0796	H	1	noname	0.0641
23	H4     5.9643   -11.8647     1.6784	H	1	noname	0.1062
24	H5     8.7844    -7.7434     0.0643	H	1	noname	0.1299
25	H6     9.6763   -10.4165    -0.0155	H	1	noname	0.0468
26	H7    10.6603    -8.7514     2.3666	H	1	noname	0.0282
27	H8     9.3823    -9.9634     2.5026	H	1	noname	0.0282
28	H9    11.0913    -7.7174     0.0495	H	1	noname	0.0282
29	H10    10.6173    -8.6474    -1.3765	H	1	noname	0.0282
30	H11    11.1253   -11.5555     1.3005	H	1	noname	0.0267
31	H12    11.1363   -11.2985     3.0446	H	1	noname	0.0267
32	H13    12.9213    -9.0114    -1.1414	H	1	noname	0.0267
33	H14    12.1803   -10.5115    -0.5674	H	1	noname	0.0267
34	H15    13.3814   -11.2164     1.8236	H	1	noname	0.0266
35	H16    13.0354    -9.9544     3.0087	H	1	noname	0.0266
36	H17    14.1374    -9.2904     0.7786	H	1	noname	0.0266
37	H18    12.8293    -8.2833     1.3967	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	20	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	21	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	22	1
14	9	11	2
15	9	23	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	24	1
20	13	14	1
21	13	15	1
22	13	25	1
23	14	16	1
24	14	26	1
25	14	27	1
26	15	17	1
27	15	28	1
28	15	29	1
29	16	18	1
30	16	30	1
31	16	31	1
32	17	19	1
33	17	32	1
34	17	33	1
35	18	19	1
36	18	34	1
37	18	35	1
38	19	36	1
39	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1