@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444451
33 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    31.6442   -11.2487     0.8006	S.3	1	noname	-0.1442
2	C1    30.7472    -9.7787     0.6086	C.2	1	noname	0.1268
3	C2    33.0722   -10.2767     0.9196	C.2	1	noname	0.0674
4	N1    31.4921    -8.6657     0.6347	N.2	1	noname	-0.1841
5	N2    29.4102    -9.7027     0.4446	N.3	1	noname	-0.0921
6	C3    34.3141   -10.8957     1.1127	C.2	1	noname	0.1657
7	C4    32.7981    -8.9097     0.8067	C.2	1	noname	0.0816
8	C5    28.5681   -10.7586     0.4047	C.2	1	noname	0.1373
9	O1    35.5221   -10.2996     1.2317	O.3	1	noname	-0.2914
10	N3    34.4701   -12.2216     1.2137	N.2	1	noname	-0.1366
11	C6    33.7401    -7.7837     0.8547	C.3	1	noname	0.0488
12	O2    28.9561   -11.9426     0.5167	O.2	1	noname	-0.2752
13	C7    27.1391   -10.5016     0.2227	C.3	1	noname	0.0099
14	N4    36.4180   -11.2286     1.4038	N.2	1	noname	-0.1322
15	C8    35.7830   -12.4085     1.3948	C.2	1	noname	0.1255
16	C9    36.4289   -13.7125     1.5648	C.3	1	noname	0.0912
17	C10    37.1149   -13.8204     2.9378	C.3	1	noname	-0.0227
18	C11    37.7508   -15.2044     3.1259	C.3	1	noname	0.0436
19	O3    38.7558   -15.4173     2.1429	O.3	1	noname	-0.3962
20	H1    29.0251    -8.8186     0.3487	H	1	noname	0.1394
21	H2    33.4660    -7.1266     1.6808	H	1	noname	0.0296
22	H3    33.6720    -7.2246    -0.0781	H	1	noname	0.0296
23	H4    34.7690    -8.1056     0.9928	H	1	noname	0.0296
24	H5    26.9801    -9.9805    -0.7211	H	1	noname	0.0324
25	H6    26.7720    -9.8855     1.0437	H	1	noname	0.0324
26	H7    26.5890   -11.4435     0.2078	H	1	noname	0.0324
27	H8    35.6769   -14.4984     1.4768	H	1	noname	0.0350
28	H9    37.1709   -13.8434     0.7768	H	1	noname	0.0350
29	H10    37.8928   -13.0594     3.0218	H	1	noname	0.0294
30	H11    36.3778   -13.6644     3.7278	H	1	noname	0.0294
31	H12    38.2018   -15.2603     4.1169	H	1	noname	0.0563
32	H13    36.9858   -15.9753     3.0369	H	1	noname	0.0563
33	H14    39.2067   -16.2853     2.2080	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	5	8	1
9	5	20	1
10	6	9	1
11	6	10	2
12	7	11	1
13	8	12	2
14	8	13	1
15	9	14	1
16	10	15	1
17	11	21	1
18	11	22	1
19	11	23	1
20	13	24	1
21	13	25	1
22	13	26	1
23	14	15	2
24	15	16	1
25	16	17	1
26	16	27	1
27	16	28	1
28	17	18	1
29	17	29	1
30	17	30	1
31	18	19	1
32	18	31	1
33	18	32	1
34	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1