@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442696
32 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     8.8763    -9.6622    -0.5206	N.2	1	noname	-0.2416
2	C1     7.8154    -9.9632     0.2714	C.2	1	noname	0.0610
3	C2     9.9373   -10.5031    -0.5785	C.2	1	noname	0.0143
4	N2     6.7794    -9.1171     0.3104	N.3	1	noname	-0.1120
5	C3     7.8043   -11.1441     1.0364	C.2	1	noname	-0.0244
6	N3     9.9522   -11.6371     0.1504	N.3	1	noname	-0.0891
7	C4    11.1282   -10.4231    -1.2985	C.2	1	noname	0.0580
8	C5     8.9222   -11.9901     0.9564	C.2	1	noname	-0.0467
9	N4    11.0532   -12.2900    -0.0374	N.2	1	noname	-0.3039
10	C6    11.5781    -9.4231    -2.2084	C.2	1	noname	-0.0306
11	C7    11.7971   -11.5860    -0.9094	C.2	1	noname	0.0437
12	C8    10.7061    -8.4231    -2.7004	C.2	1	noname	-0.0218
13	C9    12.9201    -9.4051    -2.6564	C.2	1	noname	-0.0308
14	C10    11.1510    -7.4370    -3.6043	C.2	1	noname	-0.0341
15	C11    13.3790    -8.4310    -3.5573	C.2	1	noname	-0.0400
16	C12    12.5030    -7.4410    -4.0382	C.2	1	noname	-0.0307
17	C13    10.2690    -6.4480    -4.0862	C.2	1	noname	-0.0467
18	C14    12.9499    -6.4570    -4.9442	C.2	1	noname	-0.0462
19	C15    10.7240    -5.4720    -4.9892	C.2	1	noname	-0.0569
20	C16    12.0609    -5.4770    -5.4181	C.2	1	noname	-0.0569
21	H1     6.7993    -8.3071    -0.2234	H	1	noname	0.1257
22	H2     6.0104    -9.3111     0.8684	H	1	noname	0.1257
23	H3     7.0113   -11.3811     1.6334	H	1	noname	0.0670
24	H4     8.9572   -12.8550     1.4974	H	1	noname	0.0815
25	H5    12.7171   -11.8780    -1.2394	H	1	noname	0.0864
26	H6     9.7281    -8.4100    -2.4113	H	1	noname	0.0635
27	H7    13.5870   -10.1030    -2.3263	H	1	noname	0.0629
28	H8    14.3549    -8.4490    -3.8583	H	1	noname	0.0629
29	H9     9.2930    -6.4310    -3.7842	H	1	noname	0.0629
30	H10    13.9188    -6.4489    -5.2651	H	1	noname	0.0629
31	H11    10.0809    -4.7590    -5.3351	H	1	noname	0.0622
32	H12    12.3878    -4.7669    -6.0741	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	1
6	3	7	2
7	4	21	1
8	4	22	1
9	5	8	2
10	5	23	1
11	6	9	1
12	6	8	1
13	7	10	1
14	7	11	1
15	8	24	1
16	9	11	2
17	10	12	2
18	10	13	1
19	11	25	1
20	12	14	1
21	12	26	1
22	13	15	2
23	13	27	1
24	14	16	1
25	14	17	2
26	15	16	1
27	15	28	1
28	16	18	2
29	17	19	1
30	17	29	1
31	18	20	1
32	18	30	1
33	19	20	2
34	19	31	1
35	20	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1