@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443938
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    12.3911    -6.2693     0.5213	O.3	1	noname	-0.3617
2	C1    13.3871    -5.3583     0.6584	C.2	1	noname	0.0503
3	C2    11.2401    -5.5513     0.5494	C.2	1	noname	0.0982
4	C3    14.7780    -5.5192     0.6974	C.2	1	noname	0.0912
5	C4    12.8800    -4.0672     0.7734	C.2	1	noname	0.1137
6	C5    11.5030    -4.1932     0.7044	C.2	1	noname	0.0994
7	C6     9.9120    -5.9862     0.4504	C.2	1	noname	0.0311
8	N1    15.5550    -4.4152     0.8465	N.2	1	noname	-0.2174
9	N2    15.3410    -6.7292     0.5924	N.3	1	noname	-0.0997
10	N3    13.6820    -2.9872     0.9215	N.2	1	noname	-0.2184
11	N4    10.5060    -3.2812     0.7595	N.2	1	noname	-0.2098
12	C7     8.8520    -5.0432     0.5095	C.2	1	noname	0.0129
13	C8    15.0280    -3.1641     0.9575	C.2	1	noname	0.0635
14	C9     9.2069    -3.6762     0.6665	C.2	1	noname	0.0185
15	C10     7.4879    -5.4541     0.4165	C.2	1	noname	-0.0481
16	C11     7.1079    -6.5661    -0.3734	C.2	1	noname	-0.0444
17	C12     6.4649    -4.7651     1.1135	C.2	1	noname	-0.0444
18	C13     5.7668    -6.9740    -0.4613	C.2	1	noname	-0.0613
19	C14     5.1218    -5.1720     1.0266	C.2	1	noname	-0.0613
20	C15     4.7638    -6.2810     0.2386	C.2	1	noname	-0.0531
21	C16     3.3637    -6.7219     0.1367	C.3	1	noname	-0.0018
22	H1     9.7249    -6.9842     0.3495	H	1	noname	0.0658
23	H2    14.7839    -7.5162     0.4875	H	1	noname	0.1258
24	H3    16.3059    -6.8162     0.6205	H	1	noname	0.1258
25	H4    15.6449    -2.3601     1.0685	H	1	noname	0.1062
26	H5     8.4849    -2.9561     0.7015	H	1	noname	0.0846
27	H6     7.8068    -7.0861    -0.9053	H	1	noname	0.0629
28	H7     6.6889    -3.9640     1.7046	H	1	noname	0.0629
29	H8     5.5218    -7.7790    -1.0393	H	1	noname	0.0625
30	H9     4.4068    -4.6580     1.5426	H	1	noname	0.0625
31	H10     2.7067    -6.0899     0.7357	H	1	noname	0.0279
32	H11     3.0417    -6.6759    -0.9042	H	1	noname	0.0279
33	H12     3.2787    -7.7499     0.4917	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	22	1
14	8	13	2
15	9	23	1
16	9	24	1
17	10	13	1
18	11	14	2
19	12	15	1
20	12	14	1
21	13	25	1
22	14	26	1
23	15	16	2
24	15	17	1
25	16	18	1
26	16	27	1
27	17	19	2
28	17	28	1
29	18	20	2
30	18	29	1
31	19	20	1
32	19	30	1
33	20	21	1
34	21	31	1
35	21	32	1
36	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1