@<TRIPOS>MOLECULE
119026139
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.6599    -0.6393    -0.4719	N.3	1	noname	-0.3132
2	C1    -0.4600    -1.4590    -0.3109	C.3	1	noname	0.0290
3	C2    -0.3810    -1.9412     1.0649	C.2	1	noname	-0.0475
4	C3     0.7783    -0.6183    -0.6286	C.3	1	noname	-0.0456
5	C4    -0.3119    -1.0345     2.1162	C.2	1	noname	-0.0524
6	C5    -0.3749    -3.3069     1.3234	C.2	1	noname	-0.0524
7	C6    -2.8431    -1.4426    -0.1683	C.3	1	noname	-0.0158
8	C7    -0.2367    -1.4936     3.4261	C.2	1	noname	-0.0592
9	C8    -0.2997    -3.7660     2.6332	C.2	1	noname	-0.0592
10	C9    -0.2306    -2.8594     3.6846	C.2	1	noname	-0.0613
11	H1    -0.5066    -2.3089    -0.9917	H	1	noname	0.0512
12	H2     1.6728    -1.2294    -0.5086	H	1	noname	0.0250
13	H3     0.7193    -0.2583    -1.6557	H	1	noname	0.0250
14	H4     0.8248     0.2316     0.0522	H	1	noname	0.0250
15	H5    -1.7152    -0.3018    -1.4350	H	1	noname	0.1224
16	H6    -0.3164    -0.0323     1.9265	H	1	noname	0.0626
17	H7    -0.4256    -3.9722     0.5519	H	1	noname	0.0626
18	H8    -3.7377    -0.8315    -0.2884	H	1	noname	0.0391
19	H9    -2.8897    -2.2926    -0.8492	H	1	noname	0.0391
20	H10    -2.7841    -1.8026     0.8588	H	1	noname	0.0391
21	H11    -0.1860    -0.8283     4.1976	H	1	noname	0.0622
22	H12    -0.2953    -4.7682     2.8229	H	1	noname	0.0622
23	H13    -0.1754    -3.1963     4.6457	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	7	1
3	1	15	1
4	2	3	1
5	2	4	1
6	2	11	1
7	3	5	2
8	3	6	1
9	4	12	1
10	4	13	1
11	4	14	1
12	5	8	1
13	5	16	1
14	6	9	2
15	6	17	1
16	7	18	1
17	7	19	1
18	7	20	1
19	8	10	2
20	8	21	1
21	9	10	1
22	9	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1