@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441150
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    29.0244    -0.7984     0.0886	S.3	1	noname	-0.2183
2	C1    28.7424    -2.4105     0.6667	C.2	1	noname	0.0930
3	C2    30.7074    -1.1174     0.3147	C.2	1	noname	0.0048
4	N1    29.8463    -3.1005     0.9918	N.2	1	noname	-0.2209
5	N2    27.5293    -2.9855     0.8068	N.3	1	noname	0.0582
6	C3    30.9654    -2.3914     0.8028	C.2	1	noname	0.0292
7	C4    26.3361    -2.4084     0.5318	C.2	1	noname	0.0540
8	C5    32.2994    -2.9254     1.0899	C.3	1	noname	0.0385
9	N3    26.2251    -1.1403     0.0508	N.2	1	noname	-0.2468
10	C6    25.1610    -3.1574     0.7509	C.2	1	noname	0.0311
11	C7    25.0380    -0.5512    -0.2380	C.2	1	noname	-0.0181
12	O1    25.2080    -4.4314     1.2250	O.3	1	noname	-0.2604
13	C8    23.9169    -2.5773     0.4500	C.2	1	noname	-0.0130
14	C9    23.8459    -1.2662    -0.0450	C.2	1	noname	-0.0412
15	C10    25.4369    -4.6303     2.6241	C.3	1	noname	0.0801
16	C11    25.5189    -6.0744     2.9002	C.2	1	noname	-0.0085
17	C12    26.5219    -6.8563     2.2972	C.2	1	noname	0.0091
18	C13    24.6118    -6.7123     3.7673	C.2	1	noname	-0.0294
19	N4    26.5948    -8.1863     2.5553	N.2	1	noname	-0.2510
20	C14    24.7097    -8.0903     4.0153	C.2	1	noname	-0.0235
21	C15    25.7287    -8.8204     3.3854	C.2	1	noname	-0.0023
22	H1    31.4374    -0.4343     0.1118	H	1	noname	0.0759
23	H2    27.5112    -3.8965     1.1389	H	1	noname	0.1382
24	H3    33.0694    -2.1873     0.8609	H	1	noname	0.0296
25	H4    32.3604    -3.1904     2.1450	H	1	noname	0.0296
26	H5    32.4674    -3.8164     0.4849	H	1	noname	0.0296
27	H6    25.0129     0.4038    -0.5970	H	1	noname	0.0839
28	H7    23.0598    -3.1113     0.5960	H	1	noname	0.0651
29	H8    22.9448    -0.8401    -0.2609	H	1	noname	0.0639
30	H9    24.6198    -4.1772     3.1912	H	1	noname	0.0624
31	H10    26.3739    -4.1613     2.9282	H	1	noname	0.0624
32	H11    27.1969    -6.4263     1.6642	H	1	noname	0.0842
33	H12    23.8737    -6.1723     4.2213	H	1	noname	0.0627
34	H13    24.0516    -8.5533     4.6424	H	1	noname	0.0638
35	H14    25.8197    -9.8234     3.5494	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	22	1
7	4	6	1
8	5	7	1
9	5	23	1
10	6	8	1
11	7	9	2
12	7	10	1
13	8	24	1
14	8	25	1
15	8	26	1
16	9	11	1
17	10	12	1
18	10	13	2
19	11	14	2
20	11	27	1
21	12	15	1
22	13	14	1
23	13	28	1
24	14	29	1
25	15	16	1
26	15	30	1
27	15	31	1
28	16	17	2
29	16	18	1
30	17	19	1
31	17	32	1
32	18	20	2
33	18	33	1
34	19	21	2
35	20	21	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1