@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442323
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     8.3721    -7.4977    -2.4367	N.2	1	noname	-0.2550
2	C1     7.6301    -7.2187    -1.3378	C.2	1	noname	0.0201
3	C2     8.5160    -8.7515    -2.9257	C.2	1	noname	-0.0013
4	C3     6.9571    -8.2616    -0.6398	C.2	1	noname	-0.0027
5	C4     7.5141    -5.9007    -0.8658	C.2	1	noname	-0.0056
6	C5     7.8750    -9.8204    -2.2797	C.2	1	noname	-0.0295
7	C6     9.3339    -8.9755    -4.1215	C.3	1	noname	0.0312
8	C7     7.0860    -9.5854    -1.1337	C.2	1	noname	-0.0199
9	C8     6.1991    -7.9396     0.5160	C.2	1	noname	-0.0285
10	C9     6.7591    -5.6037     0.2651	C.2	1	noname	-0.0820
11	C10     8.0420    -4.7008    -1.3248	C.2	1	noname	-0.0273
12	C11     6.4160   -10.7463    -0.4967	C.3	1	noname	-0.0125
13	C12     6.0920    -6.6116     0.9740	C.2	1	noname	-0.0408
14	N2     6.8190    -4.2827     0.4911	N.3	1	noname	-0.0761
15	C13     7.5890    -3.7128    -0.4548	C.2	1	noname	-0.1091
16	N3     5.0001   -10.7433    -0.6916	N.3	1	noname	-0.0430
17	C14     4.3541   -10.7882    -1.8725	C.2	1	noname	-0.0479
18	C15     4.0621   -10.7422     0.2652	C.2	1	noname	-0.0705
19	N4     3.0221   -10.8022    -1.6885	N.2	1	noname	-0.2420
20	C16     2.8261   -10.7722    -0.3626	C.2	1	noname	0.0083
21	H1     7.9779   -10.7673    -2.6466	H	1	noname	0.0645
22	H2     9.7478    -8.0285    -4.4725	H	1	noname	0.0295
23	H3    10.1538    -9.6543    -3.8855	H	1	noname	0.0295
24	H4     8.7209    -9.4094    -4.9114	H	1	noname	0.0295
25	H5     5.7201    -8.6705     1.0400	H	1	noname	0.0630
26	H6     8.6449    -4.5687    -2.1376	H	1	noname	0.0643
27	H7     6.7990   -11.6812    -0.9116	H	1	noname	0.0523
28	H8     6.6560   -10.7503     0.5682	H	1	noname	0.0523
29	H9     5.5430    -6.3886     1.8050	H	1	noname	0.0642
30	H10     6.3800    -3.8147     1.2191	H	1	noname	0.1522
31	H11     7.8049    -2.7188    -0.5228	H	1	noname	0.0789
32	H12     4.8100   -10.8102    -2.7844	H	1	noname	0.1015
33	H13     4.2241   -10.7222     1.2722	H	1	noname	0.0808
34	H14     1.9202   -10.7751     0.1053	H	1	noname	0.0853
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	2
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	2
9	5	10	1
10	5	11	1
11	6	8	2
12	6	21	1
13	7	22	1
14	7	23	1
15	7	24	1
16	8	12	1
17	9	13	1
18	9	25	1
19	10	14	1
20	10	13	2
21	11	15	2
22	11	26	1
23	12	16	1
24	12	27	1
25	12	28	1
26	13	29	1
27	14	15	1
28	14	30	1
29	15	31	1
30	16	17	1
31	16	18	1
32	17	19	2
33	17	32	1
34	18	20	2
35	18	33	1
36	19	20	1
37	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1