@<TRIPOS>MOLECULE
119057595
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1284     1.7405    -0.6605	S.3	1	noname	-0.0978
2	O1     0.2021     1.9119     2.4556	O.2	1	noname	-0.2831
3	O2     3.5634     0.5569    -1.6783	O.2	1	noname	-0.2831
4	N1     1.8194    -0.1843    -0.0232	N.3	1	noname	-0.0458
5	N2     1.8294     2.5006     0.7214	N.3	1	noname	-0.0458
6	C1     0.5085     0.3496     0.5232	C.3	1	noname	0.1472
7	C2     1.9034     2.1776    -0.7273	C.3	1	noname	0.1472
8	C3     0.7774     1.6381     1.3801	C.2	1	noname	0.0634
9	C4     2.5912     0.8102    -0.9346	C.2	1	noname	0.0634
10	C5    -0.5600    -0.5883     1.0884	C.3	1	noname	-0.0279
11	C6     2.3875     3.3384    -1.5985	C.3	1	noname	-0.0279
12	C7     2.2983    -1.4773     0.2719	C.3	1	noname	-0.0037
13	C8     2.6198     3.4643     1.3807	C.3	1	noname	-0.0037
14	H1    -0.0915    -1.3139     1.7534	H	1	noname	0.0263
15	H2    -1.2957    -0.0076     1.6448	H	1	noname	0.0263
16	H3    -1.0539    -1.1117     0.2698	H	1	noname	0.0263
17	H4     3.4687     3.4381    -1.5029	H	1	noname	0.0263
18	H5     1.9074     4.2614    -1.2735	H	1	noname	0.0263
19	H6     2.1314     3.1427    -2.6398	H	1	noname	0.0263
20	H7     1.5788    -2.2191    -0.0747	H	1	noname	0.0399
21	H8     2.4334    -1.5777     1.3488	H	1	noname	0.0399
22	H9     3.2529    -1.6345    -0.2303	H	1	noname	0.0399
23	H10     1.9740     4.2221     1.8243	H	1	noname	0.0399
24	H11     3.2039     2.9811     2.1638	H	1	noname	0.0399
25	H12     3.2925     3.9348     0.6636	H	1	noname	0.0399
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	8	2
4	3	9	2
5	4	6	1
6	4	9	1
7	4	12	1
8	5	7	1
9	5	8	1
10	5	13	1
11	6	8	1
12	6	10	1
13	7	9	1
14	7	11	1
15	10	14	1
16	10	15	1
17	10	16	1
18	11	17	1
19	11	18	1
20	11	19	1
21	12	20	1
22	12	21	1
23	12	22	1
24	13	23	1
25	13	24	1
26	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1