@<TRIPOS>MOLECULE
DB02758
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.7006    -2.8741     1.4595	O.2	1	noname	-0.2558
2	C1     4.0461    -2.3956     0.5081	C.2	1	noname	0.1349
3	O2     4.2138    -2.8834    -0.7395	O.3	1	noname	-0.2188
4	C2     3.1003    -1.3091     0.7461	C.3	1	noname	0.0376
5	C3     2.4372    -0.9118    -0.5743	C.3	1	noname	-0.0166
6	C4     1.4914     0.1747    -0.3363	C.2	1	noname	-0.0321
7	C5     0.1397     0.0622    -0.0174	C.2	1	noname	-0.0326
8	C6     1.7506     1.5484    -0.3802	C.2	1	noname	-0.1062
9	C7    -0.3673     1.3612     0.1509	C.2	1	noname	-0.0887
10	C8    -0.6994    -1.0947     0.0204	C.2	1	noname	-0.0401
11	N1     0.6289     2.2372    -0.0723	N.3	1	noname	-0.0760
12	C9    -1.7577     1.6075     0.3945	C.2	1	noname	-0.0441
13	C10    -2.0945    -0.8596     0.2110	C.2	1	noname	-0.0541
14	C11    -2.6116     0.4641     0.4005	C.2	1	noname	-0.0512
15	H1     4.2100    -3.8430    -0.7111	H	1	noname	0.2213
16	H2     2.3257    -1.7222     1.3922	H	1	noname	0.0376
17	H3     3.6964    -0.4612     1.0834	H	1	noname	0.0376
18	H4     3.2118    -0.4987    -1.2204	H	1	noname	0.0322
19	H5     1.8411    -1.7597    -0.9116	H	1	noname	0.0322
20	H6     2.7026     2.0205    -0.6228	H	1	noname	0.0792
21	H7    -0.2972    -2.1017    -0.0903	H	1	noname	0.0629
22	H8     0.5483     3.2425    -0.0178	H	1	noname	0.1522
23	H9    -2.1454     2.6116     0.5663	H	1	noname	0.0642
24	H10    -2.7788    -1.7080     0.2119	H	1	noname	0.0622
25	H11    -3.6817     0.6048     0.5531	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	2
9	7	10	1
10	8	11	1
11	9	12	1
12	9	11	1
13	10	13	2
14	12	14	2
15	13	14	1
16	3	15	1
17	4	16	1
18	4	17	1
19	5	18	1
20	5	19	1
21	8	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1