@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445250
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.5376    -9.7376     0.5246	N.2	1	noname	-0.2514
2	C1     3.1836    -9.8035     1.7097	C.2	1	noname	0.0615
3	C2     2.4386    -8.5596    -0.1462	C.2	1	noname	0.0062
4	N2     3.3696   -10.8505     2.5197	N.3	1	noname	-0.0442
5	C3     3.7755    -8.6815     2.2797	C.2	1	noname	-0.0020
6	C4     2.9986    -7.3616     0.3697	C.2	1	noname	-0.0366
7	C5     4.0585   -10.4404     3.5967	C.2	1	noname	-0.1069
8	C6     4.3525    -9.0755     3.4927	C.2	1	noname	-0.0150
9	C7     3.6715    -7.4465     1.6158	C.2	1	noname	-0.0170
10	C8     2.8865    -6.1235    -0.3311	C.2	1	noname	-0.0398
11	C9     5.0824    -8.3074     4.4397	C.2	1	noname	-0.0389
12	C10     1.7405    -5.8205    -1.1070	C.2	1	noname	-0.0463
13	C11     3.9185    -5.1535    -0.2751	C.2	1	noname	-0.0463
14	C12     5.0234    -8.6264     5.8178	C.2	1	noname	-0.0433
15	C13     5.9033    -7.2274     4.0418	C.2	1	noname	-0.0433
16	C14     1.6295    -4.6015    -1.7970	C.2	1	noname	-0.0570
17	C15     3.8115    -3.9345    -0.9660	C.2	1	noname	-0.0570
18	C16     5.7453    -7.8803     6.7658	C.2	1	noname	-0.0563
19	C17     6.6243    -6.4784     4.9878	C.2	1	noname	-0.0563
20	C18     2.6664    -3.6575    -1.7279	C.2	1	noname	-0.0597
21	C19     6.5442    -6.8033     6.3508	C.2	1	noname	-0.0567
22	H1     1.9526    -8.5575    -1.0441	H	1	noname	0.0846
23	H2     3.0545   -11.7524     2.3557	H	1	noname	0.1537
24	H3     4.3375   -11.0484     4.3688	H	1	noname	0.0796
25	H4     4.0645    -6.6094     2.0458	H	1	noname	0.0637
26	H5     0.9665    -6.4824    -1.1680	H	1	noname	0.0629
27	H6     4.7684    -5.3325     0.2619	H	1	noname	0.0629
28	H7     4.4453    -9.4013     6.1468	H	1	noname	0.0629
29	H8     6.0023    -6.9854     3.0558	H	1	noname	0.0629
30	H9     0.7945    -4.4004    -2.3469	H	1	noname	0.0622
31	H10     4.5674    -3.2515    -0.9149	H	1	noname	0.0622
32	H11     5.6873    -8.1203     7.7558	H	1	noname	0.0622
33	H12     7.2122    -5.7024     4.6829	H	1	noname	0.0622
34	H13     2.5874    -2.7724    -2.2289	H	1	noname	0.0622
35	H14     7.0682    -6.2613     7.0379	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	22	1
7	4	7	1
8	4	23	1
9	5	8	1
10	5	9	2
11	6	10	1
12	6	9	1
13	7	8	2
14	7	24	1
15	8	11	1
16	9	25	1
17	10	12	2
18	10	13	1
19	11	14	2
20	11	15	1
21	12	16	1
22	12	26	1
23	13	17	2
24	13	27	1
25	14	18	1
26	14	28	1
27	15	19	2
28	15	29	1
29	16	20	2
30	16	30	1
31	17	20	1
32	17	31	1
33	18	21	2
34	18	32	1
35	19	21	1
36	19	33	1
37	20	34	1
38	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1