@<TRIPOS>MOLECULE
50396312
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.2671     0.4703    -1.8297	N.2	1	noname	-0.2175
2	C1     0.8529     0.0611    -3.0672	C.2	1	noname	0.0978
3	C2     0.5167     0.1743    -0.7183	C.2	1	noname	0.0895
4	N2    -0.3189    -0.6281    -3.1592	N.2	1	noname	-0.2315
5	N3     1.5801     0.3306    -4.1600	N.3	1	noname	-0.0770
6	N4    -0.6704    -0.4996    -0.8631	N.2	1	noname	-0.2387
7	C3     0.9512     0.5402     0.5819	C.2	1	noname	-0.0954
8	C4    -1.1049    -0.9202    -2.0870	C.2	1	noname	0.0700
9	N5     0.2717     0.4226     1.7494	N.3	1	noname	-0.1005
10	C5     2.1386     1.2036     0.9400	C.2	1	noname	0.0719
11	C6    -2.3590    -1.6521    -2.2393	C.3	1	noname	0.0698
12	C7     1.0570     0.9795     2.7355	C.2	1	noname	0.0205
13	C8    -0.9772    -0.1344     2.0195	C.2	1	noname	-0.0772
14	N6     2.2066     1.4332     2.2571	N.2	1	noname	-0.1924
15	N7     3.0918     1.7468     0.1455	N.3	1	noname	0.0261
16	C9     0.6785     1.0148     4.1124	C.2	1	noname	0.0103
17	C10    -1.4122    -0.1572     3.3722	C.2	1	noname	-0.0395
18	C11     2.9870     3.0668    -0.2148	C.2	1	noname	-0.0431
19	C12    -0.5783     0.4101     4.3789	C.2	1	noname	-0.0015
20	N8     3.9202     3.7046    -0.9438	N.3	1	noname	-0.0211
21	C13     1.9312     3.9657     0.0052	C.2	1	noname	-0.0076
22	N9     3.5114     4.9041    -1.1956	N.2	1	noname	-0.3307
23	C14     2.2965     5.1274    -0.6581	C.2	1	noname	0.0107
24	H1     1.1259     0.4322    -5.0564	H	1	noname	0.1273
25	H2     2.5823     0.4322    -4.0873	H	1	noname	0.1273
26	H3    -2.7637    -1.8882    -1.2552	H	1	noname	0.0312
27	H4    -3.0734    -1.0385    -2.7883	H	1	noname	0.0312
28	H5    -2.1762    -2.5758    -2.7883	H	1	noname	0.0312
29	H6    -1.5864    -0.5343     1.2090	H	1	noname	0.0796
30	H7     3.8647     1.1793    -0.1717	H	1	noname	0.1371
31	H8     1.2946     1.4637     4.8915	H	1	noname	0.0659
32	H9    -2.3717    -0.6033     3.6339	H	1	noname	0.0636
33	H10    -0.9217     0.3798     5.4129	H	1	noname	0.0624
34	H11     4.8056     3.3342    -1.2584	H	1	noname	0.1765
35	H12     1.0166     3.7965     0.5736	H	1	noname	0.0670
36	H13     1.7283     6.0537    -0.7422	H	1	noname	0.0857
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	2
8	6	8	1
9	7	9	1
10	7	10	2
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	1
15	10	15	1
16	12	16	1
17	12	14	2
18	13	17	2
19	15	18	1
20	16	19	2
21	17	19	1
22	18	20	1
23	18	21	2
24	20	22	1
25	21	23	1
26	22	23	2
27	5	24	1
28	5	25	1
29	11	26	1
30	11	27	1
31	11	28	1
32	13	29	1
33	15	30	1
34	16	31	1
35	17	32	1
36	19	33	1
37	20	34	1
38	21	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1