@<TRIPOS>MOLECULE
76965660
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1481    -0.1031    -1.8231	O.3	1	noname	-0.3874
2	O2     0.6761    -0.7980     0.3611	O.3	1	noname	-0.3881
3	O3     1.6808    -1.2360    -4.3862	O.3	1	noname	-0.3878
4	O4    -0.5299     0.0338    -5.3031	O.3	1	noname	-0.3934
5	O5    -1.9758    -3.1709    -2.5650	O.2	1	noname	-0.2988
6	N1    -1.9866    -1.6869     0.3360	N.3	1	noname	-0.3195
7	C1     1.0926    -1.0449    -2.0060	C.3	1	noname	0.1100
8	C2     0.0005    -0.8636    -0.8944	C.3	1	noname	0.1044
9	C3     0.5995    -1.0787    -3.4877	C.3	1	noname	0.1056
10	C4    -1.0780    -1.9905    -0.7658	C.3	1	noname	0.0895
11	C5    -0.0921     0.2016    -3.9627	C.3	1	noname	0.0718
12	C6    -1.9187    -2.1450    -1.9243	C.2	1	noname	0.1365
13	H1     1.5798    -2.0101    -1.8411	H	1	noname	0.0656
14	H2    -0.4772     0.1025    -1.0316	H	1	noname	0.0649
15	H3    -0.0804    -1.9036    -3.6540	H	1	noname	0.0652
16	H4    -0.5868    -2.9334    -0.5225	H	1	noname	0.0570
17	H5    -0.9503     0.4095    -3.3235	H	1	noname	0.0591
18	H6     0.6095     1.0342    -3.9112	H	1	noname	0.0591
19	H7     1.7870     0.8065    -1.8754	H	1	noname	0.2106
20	H8     1.1783    -1.6270     0.5055	H	1	noname	0.2106
21	H9    -2.6874    -2.4268     0.4134	H	1	noname	0.1191
22	H10    -2.4517    -0.7945     0.1580	H	1	noname	0.1191
23	H11    -2.4921    -1.3545    -2.2187	H	1	noname	0.1059
24	H12     2.1461    -2.0767    -4.1934	H	1	noname	0.2106
25	H13    -0.9727     0.8534    -5.6071	H	1	noname	0.2101
@<TRIPOS>BOND
1	7	1	1
2	1	19	1
3	8	2	1
4	2	20	1
5	9	3	1
6	3	24	1
7	4	11	1
8	4	25	1
9	5	12	2
10	10	6	1
11	6	21	1
12	6	22	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	1
19	9	15	1
20	10	12	1
21	10	16	1
22	11	17	1
23	11	18	1
24	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1