@<TRIPOS>MOLECULE
119025781
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.9334    -0.5457    -0.0508	S.3	1	noname	-0.0666
2	O1    -0.7968    -3.0861    -0.0411	O.3	1	noname	-0.2055
3	N1    -3.5319    -0.8216     3.6475	N.3	1	noname	-0.3296
4	N2    -0.0265    -2.2193    -0.5466	N.2	1	noname	-0.1937
5	C1     0.4280    -0.0710    -1.1687	C.2	1	noname	-0.0243
6	C2    -2.0540    -0.9250     1.7047	C.3	1	noname	0.0119
7	C3    -3.4339    -0.5135     2.2217	C.3	1	noname	0.0019
8	C4    -0.4001    -1.0028    -0.6252	C.2	1	noname	0.0450
9	C5     0.3676     1.2489    -0.7369	C.2	1	noname	-0.0271
10	C6     1.3349    -0.4384    -2.1561	C.2	1	noname	-0.0271
11	C7     1.2140     2.2013    -1.2924	C.2	1	noname	-0.0507
12	C8     2.1813     0.5141    -2.7116	C.2	1	noname	-0.0507
13	C9     2.1209     1.8339    -2.2797	C.2	1	noname	-0.0470
14	H1    -1.9137    -1.9953     1.8556	H	1	noname	0.0397
15	H2    -1.2842    -0.3774     2.2484	H	1	noname	0.0397
16	H3    -4.2038    -1.0611     1.6780	H	1	noname	0.0434
17	H4    -3.5742     0.5568     2.0708	H	1	noname	0.0434
18	H5    -0.2978     1.5185    -0.0124	H	1	noname	0.0629
19	H6     1.3792    -1.4069    -2.4730	H	1	noname	0.0629
20	H7     1.1697     3.1698    -0.9755	H	1	noname	0.0622
21	H8     2.8467     0.2445    -3.4361	H	1	noname	0.0622
22	H9     2.7420     2.5328    -2.6873	H	1	noname	0.0622
23	H10    -4.4537    -0.5468     3.9929	H	1	noname	0.1184
24	H11    -3.4004    -1.8252     3.7890	H	1	noname	0.1184
25	H12    -0.3583    -3.9624    -0.0579	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	6	1
2	1	8	1
3	2	4	1
4	2	25	1
5	3	7	1
6	3	23	1
7	3	24	1
8	4	8	2
9	5	8	1
10	5	9	2
11	5	10	1
12	6	7	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	9	11	1
18	9	18	1
19	10	12	2
20	10	19	1
21	11	13	2
22	11	20	1
23	12	13	1
24	12	21	1
25	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1