@<TRIPOS>MOLECULE
50078827
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.6599     3.4765    -0.0525	N.2	1	noname	-0.2450
2	C1     3.3400     3.1020    -0.0331	C.2	1	noname	0.0245
3	C2     5.7040     2.5672    -0.0709	C.2	1	noname	0.0024
4	C3     3.0438     1.7021    -0.0329	C.2	1	noname	0.0113
5	C4     5.4743     1.1616    -0.0708	C.2	1	noname	-0.0170
6	C5     1.7199     1.2704    -0.0154	C.2	1	noname	-0.0244
7	C6     4.1130     0.7448    -0.0509	C.2	1	noname	-0.0133
8	N2     1.3392    -0.0196    -0.0160	N.2	1	noname	-0.2233
9	N3     0.6623     2.1051     0.0133	N.3	1	noname	-0.0298
10	C7     0.0050    -0.0119     0.0121	C.2	1	noname	0.0088
11	C8    -0.4190     1.3282     0.0648	C.2	1	noname	-0.0596
12	C9    -0.9098    -1.1009     0.0167	C.2	1	noname	-0.0107
13	C10    -1.7924     1.6845     0.1854	C.2	1	noname	-0.0353
14	C11    -2.2943    -0.7610     0.1130	C.2	1	noname	-0.0440
15	C12    -2.7252     0.6032     0.2090	C.2	1	noname	-0.0477
16	H1     2.5700     3.8733    -0.0187	H	1	noname	0.0846
17	H2     6.7196     2.9628    -0.0856	H	1	noname	0.0839
18	H3     6.2950     0.4444    -0.0851	H	1	noname	0.0638
19	H4     3.8864    -0.3214    -0.0494	H	1	noname	0.0631
20	H5     0.6770     3.1149    -0.0009	H	1	noname	0.1543
21	H6    -0.5700    -2.1344    -0.0496	H	1	noname	0.0645
22	H7    -2.1112     2.7245     0.2557	H	1	noname	0.0643
23	H8    -3.0370    -1.5589     0.1132	H	1	noname	0.0623
24	H9    -3.7886     0.8239     0.3021	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	2
7	5	7	1
8	6	8	2
9	6	9	1
10	8	10	1
11	9	11	1
12	10	12	1
13	10	11	2
14	11	13	1
15	12	14	2
16	13	15	2
17	14	15	1
18	2	16	1
19	3	17	1
20	5	18	1
21	7	19	1
22	9	20	1
23	12	21	1
24	13	22	1
25	14	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1