@<TRIPOS>MOLECULE
DB01525
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7711     0.7159    -2.3545	O.2	1	noname	-0.2534
2	C1    -0.6927     0.4289    -1.7913	C.2	1	noname	0.1385
3	O2     0.4777     0.8367    -2.3263	O.3	1	noname	-0.2169
4	C2    -0.6990    -0.3473    -0.5547	C.3	1	noname	0.0863
5	C3     0.1070    -1.6829    -0.7694	C.3	1	noname	0.0693
6	C4    -0.1609     0.5420     0.6252	C.3	1	noname	0.0243
7	O3     0.1309    -2.0042    -2.1523	O.3	1	noname	-0.3920
8	C5     1.5783    -1.7045    -0.1986	C.3	1	noname	-0.0104
9	N1     1.3216     0.7168     0.5317	N.3	1	noname	-0.2994
10	C6    -0.2637    -0.1285     2.0143	C.3	1	noname	-0.0351
11	C7     1.8732    -0.6094     0.9069	C.3	1	noname	0.0122
12	C8     1.7565     1.7183     1.5039	C.3	1	noname	-0.0127
13	C9     1.1150    -0.8031     2.2257	C.3	1	noname	-0.0359
14	H1     1.0939     1.0514    -1.6222	H	1	noname	0.2213
15	H2    -1.7382    -0.6014    -0.3461	H	1	noname	0.0452
16	H3    -0.4504    -2.4854    -0.2862	H	1	noname	0.0609
17	H4    -0.7254     1.4713     0.5478	H	1	noname	0.0476
18	H5     0.1328    -2.9582    -2.2592	H	1	noname	0.2104
19	H6     1.6841    -2.6665     0.3026	H	1	noname	0.0309
20	H7     2.2232    -1.4550    -1.0412	H	1	noname	0.0309
21	H8    -0.3664     0.6616     2.7582	H	1	noname	0.0283
22	H9    -1.0143    -0.9161     1.9486	H	1	noname	0.0283
23	H10     2.9574    -0.6348     1.0162	H	1	noname	0.0468
24	H11     1.5924     1.3403     2.5130	H	1	noname	0.0394
25	H12     2.8171     1.9260     1.3618	H	1	noname	0.0394
26	H13     1.1845     2.6351     1.3618	H	1	noname	0.0394
27	H14     1.6462    -0.2410     2.9938	H	1	noname	0.0283
28	H15     0.9463    -1.8726     2.3517	H	1	noname	0.0283
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	8	11	1
11	9	12	1
12	11	9	1
13	10	13	1
14	11	13	1
15	3	14	1
16	4	15	1
17	5	16	1
18	6	17	1
19	7	18	1
20	8	19	1
21	8	20	1
22	10	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	12	25	1
27	12	26	1
28	13	27	1
29	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1