@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448041
32 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     9.2924    -5.3769    -0.1731	N.2	1	noname	-0.2564
2	C1     9.8104    -4.6129    -1.1751	C.2	1	noname	0.0472
3	C2     9.9544    -5.6169     0.9869	C.2	1	noname	-0.0364
4	N2     9.1423    -4.3838    -2.3351	N.3	1	noname	0.0039
5	C3    11.0874    -4.0448    -1.0230	C.2	1	noname	0.0184
6	N3    11.1823    -5.0659     1.1389	N.3	1	noname	-0.0205
7	C4     7.9042    -4.8418    -2.6540	C.2	1	noname	-0.0315
8	C5    11.7514    -4.3018     0.1819	C.2	1	noname	-0.0062
9	C6    12.0493    -5.1309     2.1600	C.2	1	noname	-0.0525
10	C7     6.8132    -4.7887    -1.7579	C.2	1	noname	-0.0583
11	C8     7.6962    -5.3388    -3.9550	C.2	1	noname	-0.0583
12	N4    12.9694    -3.8657     0.5580	N.2	1	noname	-0.2183
13	C9    13.1623    -4.3758     1.7860	C.2	1	noname	0.0118
14	C10    11.9943    -5.7788     3.4061	C.2	1	noname	-0.0319
15	C11     5.5451    -5.2497    -2.1499	C.2	1	noname	-0.0630
16	C12     6.4281    -5.8007    -4.3490	C.2	1	noname	-0.0630
17	C13    14.2623    -4.2398     2.6461	C.2	1	noname	-0.0101
18	C14    13.0943    -5.6468     4.2762	C.2	1	noname	-0.0470
19	C15     5.3530    -5.7577    -3.4459	C.2	1	noname	-0.0832
20	C16    14.2203    -4.8828     3.9001	C.2	1	noname	-0.0438
21	H1     9.5323    -6.1949     1.7149	H	1	noname	0.1020
22	H2     9.6103    -3.8798    -3.0190	H	1	noname	0.1357
23	H3    11.5133    -3.4698    -1.7510	H	1	noname	0.0693
24	H4     6.9391    -4.4097    -0.8179	H	1	noname	0.0639
25	H5     8.4702    -5.3687    -4.6200	H	1	noname	0.0639
26	H6    11.1782    -6.3298     3.6741	H	1	noname	0.0643
27	H7     4.7640    -5.2117    -1.4958	H	1	noname	0.0623
28	H8     6.2881    -6.1647    -5.2919	H	1	noname	0.0623
29	H9    15.0743    -3.6867     2.3701	H	1	noname	0.0645
30	H10    13.0773    -6.1078     5.1862	H	1	noname	0.0623
31	H11     4.4320    -6.0927    -3.7319	H	1	noname	0.0622
32	H12    15.0103    -4.7957     4.5402	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	2
5	3	6	1
6	3	21	1
7	4	7	1
8	4	22	1
9	5	8	1
10	5	23	1
11	6	9	1
12	6	8	1
13	7	10	2
14	7	11	1
15	8	12	2
16	9	13	2
17	9	14	1
18	10	15	1
19	10	24	1
20	11	16	2
21	11	25	1
22	12	13	1
23	13	17	1
24	14	18	2
25	14	26	1
26	15	19	2
27	15	27	1
28	16	19	1
29	16	28	1
30	17	20	2
31	17	29	1
32	18	20	1
33	18	30	1
34	19	31	1
35	20	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1