@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445248
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    18.3665    -3.2344    -2.7969	O.3	1	noname	-0.2858
2	C1    18.4585    -4.3544    -2.0468	C.2	1	noname	0.0009
3	C2    17.4294    -5.3074    -2.0847	C.2	1	noname	-0.0276
4	C3    19.5775    -4.5714    -1.2277	C.2	1	noname	-0.0276
5	C4    17.5204    -6.4744    -1.3067	C.2	1	noname	-0.0362
6	C5    19.6665    -5.7394    -0.4516	C.2	1	noname	-0.0362
7	C6    18.6404    -6.7164    -0.4726	C.2	1	noname	-0.0519
8	C7    18.7334    -7.9024     0.3174	C.2	1	noname	-0.0367
9	C8    18.1853    -9.1354    -0.1275	C.2	1	noname	0.0053
10	C9    19.3774    -7.8994     1.5815	C.2	1	noname	-0.0179
11	N1    18.2663   -10.2624     0.6275	N.2	1	noname	-0.2515
12	C10    19.4653    -9.0854     2.3326	C.2	1	noname	-0.0020
13	C11    18.8853   -10.2444     1.8296	C.2	1	noname	0.0603
14	C12    20.0163    -9.3944     3.5826	C.2	1	noname	-0.0150
15	N2    19.0492   -11.2324     2.7147	N.3	1	noname	-0.0443
16	C13    20.7323    -8.5643     4.4867	C.2	1	noname	-0.0389
17	C14    19.7152   -10.7484     3.7757	C.2	1	noname	-0.1069
18	C15    21.5603    -7.5122     4.0298	C.2	1	noname	-0.0433
19	C16    20.6542    -8.7902     5.8818	C.2	1	noname	-0.0433
20	C17    22.2703    -6.7041     4.9328	C.2	1	noname	-0.0563
21	C18    21.3642    -7.9841     6.7879	C.2	1	noname	-0.0563
22	C19    22.1712    -6.9381     6.3130	C.2	1	noname	-0.0567
23	H1    19.1275    -2.6233    -2.7138	H	1	noname	0.2181
24	H2    16.6133    -5.1534    -2.6767	H	1	noname	0.0650
25	H3    20.3305    -3.8833    -1.1976	H	1	noname	0.0650
26	H4    16.7493    -7.1424    -1.3467	H	1	noname	0.0630
27	H5    20.4985    -5.8743     0.1243	H	1	noname	0.0630
28	H6    17.7212    -9.1964    -1.0345	H	1	noname	0.0846
29	H7    19.7603    -7.0343     1.9616	H	1	noname	0.0637
30	H8    18.7362   -12.1444     2.6087	H	1	noname	0.1537
31	H9    19.9762   -11.2994     4.5947	H	1	noname	0.0796
32	H10    21.6732    -7.3371     3.0308	H	1	noname	0.0629
33	H11    20.0712    -9.5412     6.2529	H	1	noname	0.0629
34	H12    22.8642    -5.9500     4.5849	H	1	noname	0.0622
35	H13    21.2932    -8.1581     7.7910	H	1	noname	0.0622
36	H14    22.6882    -6.3530     6.9700	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	23	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	24	1
7	4	6	2
8	4	25	1
9	5	7	2
10	5	26	1
11	6	7	1
12	6	27	1
13	7	8	1
14	8	9	2
15	8	10	1
16	9	11	1
17	9	28	1
18	10	12	2
19	10	29	1
20	11	13	2
21	12	14	1
22	12	13	1
23	13	15	1
24	14	16	1
25	14	17	2
26	15	17	1
27	15	30	1
28	16	18	2
29	16	19	1
30	17	31	1
31	18	20	1
32	18	32	1
33	19	21	2
34	19	33	1
35	20	22	2
36	20	34	1
37	21	22	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1