@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442678
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    37.9649   -18.0965    -5.0586	S.3	1	noname	-0.1686
2	C1    37.5549   -19.3963    -3.9966	C.2	1	noname	0.0526
3	C2    36.3469   -17.5284    -4.7935	C.2	1	noname	0.0753
4	C3    36.2509   -19.3273    -3.5125	C.2	1	noname	0.0351
5	C4    38.3978   -20.4502    -3.6195	C.2	1	noname	-0.0052
6	N1    35.5799   -18.2653    -3.9725	N.2	1	noname	-0.2099
7	C5    35.7569   -20.3072    -2.6365	C.2	1	noname	0.0144
8	C6    37.9078   -21.4371    -2.7435	C.2	1	noname	-0.0209
9	C7    36.5838   -21.3861    -2.2325	C.2	1	noname	-0.0183
10	C8    36.1088   -22.3930    -1.3445	C.2	1	noname	0.0583
11	C9    34.9457   -22.4259    -0.5785	C.2	1	noname	0.0159
12	C10    36.7177   -23.6089    -1.0225	C.2	1	noname	0.0437
13	N2    33.9447   -21.5239    -0.4474	N.2	1	noname	-0.2394
14	N3    34.9187   -23.5808     0.1144	N.3	1	noname	-0.0875
15	N4    35.9666   -24.2948    -0.1425	N.2	1	noname	-0.3036
16	C11    32.8967   -21.7769     0.3804	C.2	1	noname	0.0624
17	C12    33.9027   -23.8927     0.9544	C.2	1	noname	-0.0461
18	N5    31.8987   -20.8789     0.5115	N.3	1	noname	-0.1011
19	C13    32.8467   -22.9798     1.1105	C.2	1	noname	-0.0224
20	C14    31.8717   -19.6489    -0.1973	C.3	1	noname	0.0137
21	C15    30.6287   -18.8419     0.2006	C.3	1	noname	0.0054
22	N6    29.4087   -19.6018    -0.0812	N.3	1	noname	-0.3291
23	H1    35.9959   -16.6794    -5.2374	H	1	noname	0.0959
24	H2    39.3527   -20.5002    -3.9744	H	1	noname	0.0638
25	H3    34.7949   -20.2242    -2.3105	H	1	noname	0.0652
26	H4    38.5377   -22.1940    -2.4765	H	1	noname	0.0629
27	H5    37.6036   -23.9448    -1.3994	H	1	noname	0.0864
28	H6    33.9036   -24.7747     1.4684	H	1	noname	0.0815
29	H7    31.1597   -21.0818     1.1065	H	1	noname	0.1296
30	H8    32.0676   -23.1857     1.7365	H	1	noname	0.0670
31	H9    32.7616   -19.0649     0.0416	H	1	noname	0.0445
32	H10    31.8486   -19.8408    -1.2712	H	1	noname	0.0445
33	H11    30.6696   -18.6109     1.2656	H	1	noname	0.0438
34	H12    30.6106   -17.9109    -0.3652	H	1	noname	0.0438
35	H13    28.6207   -18.9878     0.1327	H	1	noname	0.1184
36	H14    29.3906   -19.7687    -1.0901	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	23	1
7	4	7	1
8	4	6	1
9	5	8	2
10	5	24	1
11	7	9	2
12	7	25	1
13	8	9	1
14	8	26	1
15	9	10	1
16	10	11	2
17	10	12	1
18	11	13	1
19	11	14	1
20	12	15	2
21	12	27	1
22	13	16	2
23	14	17	1
24	14	15	1
25	16	18	1
26	16	19	1
27	17	19	2
28	17	28	1
29	18	20	1
30	18	29	1
31	19	30	1
32	20	21	1
33	20	31	1
34	20	32	1
35	21	22	1
36	21	33	1
37	21	34	1
38	22	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1