@<TRIPOS>MOLECULE
55250389
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9064    -1.2741    -0.1861	O.2	1	noname	-0.2922
2	N1     1.2862    -2.9082     0.3549	N.3	1	noname	-0.3104
3	C1    -0.1407    -2.6482     0.1173	C.3	1	noname	0.0678
4	C2    -0.6743    -1.2638     0.0170	C.2	1	noname	0.1000
5	C3    -0.9782    -3.4463     1.1186	C.3	1	noname	-0.0423
6	C4     0.0228    -0.0011     0.1208	C.2	1	noname	-0.0180
7	C5     1.4260     0.1033     0.3514	C.2	1	noname	-0.0179
8	C6    -0.6983     1.2341    -0.0090	C.2	1	noname	-0.0179
9	C7     1.5168    -4.3510     0.4057	C.3	1	noname	-0.0157
10	C8     2.0964     1.3319     0.4511	C.2	1	noname	-0.0479
11	C9    -0.0310     2.4813     0.0900	C.2	1	noname	-0.0479
12	C10     1.3584     2.5259     0.3188	C.2	1	noname	-0.0401
13	H1    -0.4128    -3.1260    -0.8239	H	1	noname	0.0547
14	H2    -2.0365    -3.2535     0.9423	H	1	noname	0.0251
15	H3    -0.7771    -4.5103     0.9939	H	1	noname	0.0251
16	H4    -0.7178    -3.1436     2.1328	H	1	noname	0.0251
17	H5     1.8375    -2.5015    -0.4035	H	1	noname	0.1226
18	H6     2.0324    -0.7023     0.4585	H	1	noname	0.0630
19	H7    -1.7265     1.2499    -0.1787	H	1	noname	0.0630
20	H8     2.5751    -4.5438     0.5820	H	1	noname	0.0391
21	H9     0.9288    -4.7846     1.2146	H	1	noname	0.0391
22	H10     1.2185    -4.8002    -0.5416	H	1	noname	0.0391
23	H11     3.1049     1.3599     0.6172	H	1	noname	0.0622
24	H12    -0.5705     3.3595    -0.0067	H	1	noname	0.0622
25	H13     1.8601     3.4290     0.3936	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	2
2	3	2	1
3	2	9	1
4	2	17	1
5	3	4	1
6	3	5	1
7	3	13	1
8	4	6	1
9	5	14	1
10	5	15	1
11	5	16	1
12	6	7	2
13	6	8	1
14	7	10	1
15	7	18	1
16	8	11	2
17	8	19	1
18	9	20	1
19	9	21	1
20	9	22	1
21	10	12	2
22	10	23	1
23	11	12	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1