@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442676
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     7.1241   -28.6241    -0.4333	N.2	1	noname	-0.2395
2	C1     6.0721   -28.8881     0.3856	C.2	1	noname	0.0624
3	C2     8.1170   -29.5320    -0.5893	C.2	1	noname	0.0156
4	N2     5.0831   -27.9841     0.5406	N.3	1	noname	-0.1011
5	C3     6.0060   -30.1119     1.0776	C.2	1	noname	-0.0224
6	N3     8.0710   -30.7079     0.0656	N.3	1	noname	-0.0877
7	C4     9.2789   -29.4940    -1.3592	C.2	1	noname	0.0583
8	C5     5.0710   -26.7321    -0.1282	C.3	1	noname	0.0137
9	C6     7.0500   -31.0339     0.8947	C.2	1	noname	-0.0461
10	N4     9.1059   -31.4309    -0.2152	N.2	1	noname	-0.3036
11	C7     9.7719   -28.4720    -2.2231	C.2	1	noname	-0.0230
12	C8     9.8649   -30.7309    -1.0762	C.2	1	noname	0.0437
13	C9     3.8241   -25.9331     0.2737	C.3	1	noname	0.0054
14	C10    10.9968   -28.6509    -2.9210	C.2	1	noname	-0.0099
15	C11     9.0609   -27.2540    -2.4171	C.2	1	noname	-0.0262
16	N5     2.6071   -26.6770    -0.0561	N.3	1	noname	-0.3291
17	C12    11.4617   -27.6360    -3.7700	C.2	1	noname	-0.0512
18	C13     9.5388   -26.2410    -3.2730	C.2	1	noname	-0.0230
19	N6    12.5616   -27.5489    -4.5309	N.3	1	noname	-0.0153
20	C14    10.7497   -26.4630    -3.9399	C.2	1	noname	0.0069
21	N7    12.5866   -26.4119    -5.1629	N.2	1	noname	-0.2950
22	C15    11.4887   -25.7030    -4.8318	C.2	1	noname	0.0272
23	H1     4.3401   -28.1990     1.1267	H	1	noname	0.1296
24	H2     5.2231   -30.3279     1.6956	H	1	noname	0.0670
25	H3     5.9590   -26.1601     0.1447	H	1	noname	0.0445
26	H4     5.0650   -26.8890    -1.2081	H	1	noname	0.0445
27	H5     7.0389   -31.9318     1.3787	H	1	noname	0.0815
28	H6    10.7458   -31.0708    -1.4621	H	1	noname	0.0864
29	H7     3.8460   -25.7370     1.3467	H	1	noname	0.0438
30	H8     3.8200   -24.9831    -0.2611	H	1	noname	0.0438
31	H9    11.5497   -29.5019    -2.8210	H	1	noname	0.0649
32	H10     8.1789   -27.0830    -1.9371	H	1	noname	0.0629
33	H11     1.8171   -26.0660     0.1608	H	1	noname	0.1184
34	H12     2.6080   -26.8110    -1.0701	H	1	noname	0.1184
35	H13     9.0178   -25.3730    -3.4019	H	1	noname	0.0630
36	H14    13.2416   -28.2368    -4.6019	H	1	noname	0.1754
37	H15    11.2476   -24.7740    -5.1778	H	1	noname	0.0863
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	4	23	1
9	5	9	2
10	5	24	1
11	6	10	1
12	6	9	1
13	7	11	1
14	7	12	1
15	8	13	1
16	8	25	1
17	8	26	1
18	9	27	1
19	10	12	2
20	11	14	2
21	11	15	1
22	12	28	1
23	13	16	1
24	13	29	1
25	13	30	1
26	14	17	1
27	14	31	1
28	15	18	2
29	15	32	1
30	16	33	1
31	16	34	1
32	17	19	1
33	17	20	2
34	18	20	1
35	18	35	1
36	19	21	1
37	19	36	1
38	20	22	1
39	21	22	2
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1