@<TRIPOS>MOLECULE
57357423
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.3966     1.2532     0.1695	N.3	1	noname	-0.1303
2	N2    -1.4436     0.8054     2.0160	N.2	1	noname	-0.2674
3	C1    -0.6150    -1.6881    -0.2792	C.3	1	noname	0.0485
4	C2    -1.8372    -1.0884     0.4719	C.3	1	noname	0.0261
5	C3    -0.9448    -2.0906     1.1921	C.3	1	noname	-0.0281
6	C4     0.5074    -0.7452    -0.5158	C.2	1	noname	-0.0510
7	C5    -1.1828    -2.4502    -1.3875	C.2	1	noname	-0.0510
8	C6    -1.8644     0.3101     0.9104	C.2	1	noname	-0.0724
9	C7     1.6564    -0.6610     0.3550	C.2	1	noname	-0.0560
10	C8    -0.9431    -3.8158    -1.4868	C.2	1	noname	-0.0560
11	C9     0.3648     0.1484    -1.6328	C.2	1	noname	-0.0560
12	C10    -1.9631    -1.8102    -2.3433	C.2	1	noname	-0.0560
13	C11    -2.3237     2.5074     0.8103	C.3	1	noname	0.0208
14	C12    -1.6570     2.1775     2.1541	C.3	1	noname	0.0534
15	C13    -1.4837    -4.5413    -2.5420	C.2	1	noname	-0.0607
16	C14     2.6140     0.3830     0.1667	C.2	1	noname	-0.0607
17	C15    -2.5037    -2.5357    -3.3985	C.2	1	noname	-0.0607
18	C16     1.3234     1.1889    -1.8318	C.2	1	noname	-0.0607
19	C17     2.4151     1.2939    -0.9176	C.2	1	noname	-0.0634
20	C18    -2.2640    -3.9013    -3.4979	C.2	1	noname	-0.0634
21	H1    -2.7969    -1.5224     0.1850	H	1	noname	0.0392
22	H2    -1.4291    -3.0670     1.2019	H	1	noname	0.0287
23	H3    -0.2898    -1.7001     1.9710	H	1	noname	0.0287
24	H4    -3.3244     1.0365    -0.0124	H	1	noname	0.1293
25	H5     1.7839    -1.3440     1.1017	H	1	noname	0.0625
26	H6    -0.3705    -4.2854    -0.7854	H	1	noname	0.0625
27	H7    -0.4165     0.0403    -2.2796	H	1	noname	0.0625
28	H8    -2.1390    -0.8081    -2.2704	H	1	noname	0.0625
29	H9    -3.3311     2.8841     0.9873	H	1	noname	0.0451
30	H10    -1.6522     3.1667     0.2604	H	1	noname	0.0451
31	H11    -2.3643     2.3555     2.9640	H	1	noname	0.0528
32	H12    -0.6676     2.6141     2.2904	H	1	noname	0.0528
33	H13    -1.3078    -5.5434    -2.6149	H	1	noname	0.0622
34	H14     3.4172     0.4758     0.7886	H	1	noname	0.0622
35	H15    -3.0763    -2.0661    -4.0999	H	1	noname	0.0622
36	H16     1.2299     1.8422    -2.6095	H	1	noname	0.0622
37	H17     3.0840     2.0536    -1.0437	H	1	noname	0.0622
38	H18    -2.6607    -4.4337    -4.2722	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	8	1
2	1	13	1
3	1	24	1
4	2	8	2
5	2	14	1
6	3	4	1
7	3	5	1
8	3	6	1
9	3	7	1
10	4	5	1
11	4	8	1
12	4	21	1
13	5	22	1
14	5	23	1
15	6	9	2
16	6	11	1
17	7	10	2
18	7	12	1
19	9	16	1
20	9	25	1
21	10	15	1
22	10	26	1
23	11	18	2
24	11	27	1
25	12	17	2
26	12	28	1
27	13	14	1
28	13	29	1
29	13	30	1
30	14	31	1
31	14	32	1
32	15	20	2
33	15	33	1
34	16	19	2
35	16	34	1
36	17	20	1
37	17	35	1
38	18	19	1
39	18	36	1
40	19	37	1
41	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1