@<TRIPOS>MOLECULE
50078834
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.3550     3.0288    -0.0335	N.2	1	noname	-0.2313
2	C1     3.0551     1.6763    -0.0330	C.2	1	noname	0.0330
3	C2     4.6507     3.5034    -0.0523	C.2	1	noname	0.0044
4	C3     1.7243     1.2724    -0.0152	C.2	1	noname	-0.0145
5	C4     4.0879     0.6911    -0.0506	C.2	1	noname	-0.0027
6	C5     5.7207     2.5523    -0.0712	C.2	1	noname	-0.0252
7	N2     1.3394    -0.0189    -0.0153	N.2	1	noname	-0.2133
8	N3     0.6723     2.1089     0.0124	N.3	1	noname	-0.0218
9	C6     5.4334     1.1525    -0.0702	C.2	1	noname	-0.0334
10	C7     0.0057    -0.0122     0.0114	C.2	1	noname	0.0121
11	C8    -0.4159     1.3309     0.0643	C.2	1	noname	-0.0537
12	C9    -0.9100    -1.1013     0.0168	C.2	1	noname	-0.0104
13	C10    -1.7927     1.6848     0.1862	C.2	1	noname	-0.0340
14	C11    -2.2945    -0.7611     0.1124	C.2	1	noname	-0.0439
15	C12    -2.7254     0.6031     0.2094	C.2	1	noname	-0.0476
16	H1     4.8212     4.5800    -0.0522	H	1	noname	0.0839
17	H2     3.8574    -0.3743    -0.0492	H	1	noname	0.0646
18	H3     6.7555     2.8944    -0.0864	H	1	noname	0.0638
19	H4     0.6949     3.1185    -0.0028	H	1	noname	0.1544
20	H5     6.2490     0.4295    -0.0845	H	1	noname	0.0623
21	H6    -0.5709    -2.1351    -0.0484	H	1	noname	0.0645
22	H7    -2.1142     2.7238     0.2576	H	1	noname	0.0643
23	H8    -3.0374    -1.5588     0.1113	H	1	noname	0.0623
24	H9    -3.7888     0.8234     0.3032	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	2
9	6	9	1
10	7	10	1
11	8	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	3	16	1
19	5	17	1
20	6	18	1
21	8	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