@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445945
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    16.4937    -3.4097     0.4482	S	1	noname	-0.0943
2	O1    17.5167    -2.9506    -0.6798	O.2	1	noname	-0.1947
3	O2    16.7367    -3.0846     1.9863	O.2	1	noname	-0.1947
4	N1    16.4657    -5.0908     0.3312	N.3	1	noname	0.0836
5	C1    14.8836    -2.8866     0.0342	C.2	1	noname	0.0312
6	C2    17.5257    -5.8768     0.6132	C.2	1	noname	0.0087
7	C3    13.7395    -3.3126     0.7523	C.2	1	noname	0.0169
8	C4    14.7335    -2.0115    -1.0587	C.2	1	noname	0.0173
9	C5    17.3736    -7.2688     0.4963	C.2	1	noname	-0.0019
10	C6    18.7687    -5.3567     1.0193	C.2	1	noname	-0.0410
11	C7    12.4494    -2.8525     0.3543	C.2	1	noname	-0.0199
12	C8    13.8365    -4.1866     1.8574	C.2	1	noname	-0.0297
13	C9    13.4644    -1.5584    -1.4457	C.2	1	noname	-0.0310
14	C10    18.4436    -8.1368     0.7783	C.2	1	noname	0.0500
15	C11    19.8417    -6.2197     1.2984	C.2	1	noname	0.0042
16	C12    12.3243    -1.9774    -0.7436	C.2	1	noname	-0.0168
17	C13    11.3013    -3.2725     1.0564	C.2	1	noname	-0.0447
18	C14    12.6864    -4.5995     2.5495	C.2	1	noname	-0.0543
19	O3    18.2016    -9.4629     0.6434	O.3	1	noname	-0.2754
20	C15    19.6997    -7.6208     1.1834	C.2	1	noname	0.0054
21	C16    11.4203    -4.1445     2.1495	C.2	1	noname	-0.0565
22	C17    20.8057    -8.4548     1.4715	C.2	1	noname	0.0892
23	O4    20.7456    -9.7018     1.3895	O.2	1	noname	-0.2575
24	O5    21.9957    -7.9387     1.8535	O.3	1	noname	-0.2176
25	H1    15.6386    -5.5117     0.0532	H	1	noname	0.1506
26	H2    15.5555    -1.7014    -1.5767	H	1	noname	0.0639
27	H3    16.4755    -7.6588     0.2053	H	1	noname	0.0667
28	H4    18.9026    -4.3496     1.1114	H	1	noname	0.0639
29	H5    14.7415    -4.5325     2.1755	H	1	noname	0.0629
30	H6    13.3693    -0.9244    -2.2397	H	1	noname	0.0623
31	H7    20.7317    -5.8116     1.5874	H	1	noname	0.0632
32	H8    11.4052    -1.6403    -1.0376	H	1	noname	0.0629
33	H9    10.3732    -2.9484     0.7765	H	1	noname	0.0629
34	H10    12.7713    -5.2315     3.3466	H	1	noname	0.0622
35	H11    18.9566   -10.0518     0.8535	H	1	noname	0.2182
36	H12    10.5872    -4.4475     2.6546	H	1	noname	0.0622
37	H13    22.6807    -8.6177     2.0226	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	25	1
7	5	7	1
8	5	8	2
9	6	9	2
10	6	10	1
11	7	11	1
12	7	12	2
13	8	13	1
14	8	26	1
15	9	14	1
16	9	27	1
17	10	15	2
18	10	28	1
19	11	16	1
20	11	17	2
21	12	18	1
22	12	29	1
23	13	16	2
24	13	30	1
25	14	19	1
26	14	20	2
27	15	20	1
28	15	31	1
29	16	32	1
30	17	21	1
31	17	33	1
32	18	21	2
33	18	34	1
34	19	35	1
35	20	22	1
36	21	36	1
37	22	23	2
38	22	24	1
39	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1