@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445251
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    15.6238     0.6985    -2.2715	O.3	1	noname	-0.2852
2	C1    15.9997    -0.4473    -1.6625	C.2	1	noname	0.0054
3	C2    16.9686    -0.4143    -0.6485	C.2	1	noname	-0.0244
4	C3    15.4297    -1.6722    -2.0394	C.2	1	noname	-0.0244
5	C4    17.3646    -1.6032    -0.0114	C.2	1	noname	-0.0267
6	C5    15.8287    -2.8591    -1.4004	C.2	1	noname	-0.0267
7	C6    16.8015    -2.8541    -0.3714	C.2	1	noname	-0.0428
8	C7    17.1835    -4.0800     0.2535	C.2	1	noname	-0.0121
9	N1    16.7725    -5.2599    -0.3033	N.2	1	noname	-0.2480
10	C8    17.9724    -4.1500     1.4305	C.2	1	noname	-0.0051
11	C9    17.0674    -6.4958     0.1756	C.2	1	noname	-0.0001
12	C10    18.2854    -5.4129     1.9645	C.2	1	noname	-0.0195
13	C11    17.8483    -6.5728     1.3326	C.2	1	noname	0.0188
14	C12    19.0333    -5.8078     3.0815	C.2	1	noname	-0.0202
15	N2    18.3012    -7.6397     1.9996	N.3	1	noname	-0.0580
16	C13    19.6812    -5.0108     4.0615	C.2	1	noname	-0.0391
17	C14    19.0223    -7.2077     3.0475	C.2	1	noname	-0.1036
18	C15    19.1352    -3.7798     4.4925	C.2	1	noname	-0.0438
19	C16    20.8891    -5.4487     4.6555	C.2	1	noname	-0.0438
20	C17    19.7831    -3.0028     5.4685	C.2	1	noname	-0.0565
21	C18    21.5390    -4.6727     5.6295	C.2	1	noname	-0.0565
22	C19    20.9870    -3.4467     6.0345	C.2	1	noname	-0.0571
23	H1    14.9428     0.5866    -2.9664	H	1	noname	0.2181
24	H2    17.3886     0.4746    -0.3734	H	1	noname	0.0650
25	H3    14.7257    -1.7041    -2.7773	H	1	noname	0.0650
26	H4    18.0785    -1.5391     0.7125	H	1	noname	0.0630
27	H5    15.3926    -3.7340    -1.6963	H	1	noname	0.0630
28	H6    18.3144    -3.3070     1.8875	H	1	noname	0.0652
29	H7    16.7344    -7.3368    -0.2953	H	1	noname	0.0859
30	H8    18.1412    -8.5666     1.7647	H	1	noname	0.1522
31	H9    19.4792    -7.8196     3.7256	H	1	noname	0.0795
32	H10    18.2472    -3.4458     4.1166	H	1	noname	0.0629
33	H11    21.3131    -6.3346     4.3746	H	1	noname	0.0629
34	H12    19.3741    -2.1178     5.7696	H	1	noname	0.0622
35	H13    22.4129    -4.9997     6.0425	H	1	noname	0.0622
36	H14    21.4580    -2.8837     6.7426	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	10	12	2
18	10	28	1
19	11	13	2
20	11	29	1
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