@<TRIPOS>MOLECULE
91864466
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9787     1.3853     1.1175	O.3	1	noname	-0.8494
2	N1    -0.7251    -1.1978    -0.3145	N.3	1	noname	-0.0280
3	C1     0.1144    -0.1704    -0.5024	C.2	1	noname	-0.0435
4	C2    -1.7823    -0.7861     0.3986	C.2	1	noname	-0.0326
5	C3     1.1257     0.0781     0.4183	C.2	1	noname	-0.0826
6	C4    -0.0261     0.6468    -1.6180	C.2	1	noname	-0.1010
7	C5    -2.7948    -1.6823     0.7209	C.2	1	noname	-0.0612
8	C6    -1.8666     0.5371     0.8158	C.2	1	noname	-0.0612
9	C7     1.9965     1.1439     0.2234	C.2	1	noname	-0.0468
10	C8     0.8447     1.7126    -1.8129	C.2	1	noname	-0.0743
11	C9     1.8560     1.9611    -0.8922	C.2	1	noname	-0.1057
12	C10    -3.8915    -1.2552     1.4606	C.2	1	noname	-0.0637
13	C11    -2.9633     0.9642     1.5554	C.2	1	noname	-0.0637
14	C12    -3.9757     0.0680     1.8778	C.2	1	noname	-0.0857
15	H1    -0.2674    -1.9057     0.1653	H	1	noname	0.1342
16	H2     1.2288    -0.5215     1.2369	H	1	noname	0.0631
17	H3    -0.7682     0.4645    -2.2935	H	1	noname	0.0639
18	H4    -2.7330    -2.6533     0.4148	H	1	noname	0.0639
19	H5    -1.1236     1.1948     0.5792	H	1	noname	0.0639
20	H6     0.7416     2.3123    -2.6315	H	1	noname	0.0622
21	H7     2.4950     2.7432    -1.0353	H	1	noname	0.0614
22	H8    -4.6344    -1.9128     1.6971	H	1	noname	0.0623
23	H9    -3.0251     1.9352     1.8615	H	1	noname	0.0623
24	H10    -4.7805     0.3814     2.4205	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	1
2	2	3	1
3	2	4	1
4	2	15	1
5	3	5	2
6	3	6	1
7	4	7	2
8	4	8	1
9	5	9	1
10	5	16	1
11	6	10	2
12	6	17	1
13	7	12	1
14	7	18	1
15	8	13	2
16	8	19	1
17	9	11	2
18	10	11	1
19	10	20	1
20	11	21	1
21	12	14	2
22	12	22	1
23	13	14	1
24	13	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1