@<TRIPOS>MOLECULE
DB02625
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9349    -1.2417     0.3967	O.2	1	noname	-0.2543
2	C1     0.9374    -0.0581    -0.0054	C.2	1	noname	0.1371
3	O2     2.0073     0.7316     0.2272	O.3	1	noname	-0.2177
4	C2    -0.2169     0.4702    -0.7265	C.3	1	noname	0.0604
5	C3    -0.7960     1.6609     0.0403	C.3	1	noname	0.0441
6	C4     0.2174     0.9245    -2.1215	C.3	1	noname	-0.0397
7	N1    -1.1963     1.2423     1.3258	N.3	1	noname	0.0153
8	C5     0.7965    -0.2662    -2.8882	C.3	1	noname	-0.0527
9	O3    -1.7198     2.0967     2.1540	O.3	1	noname	-0.3152
10	C6    -1.0407    -0.0077     1.6857	C.2	1	noname	0.0799
11	C7     1.2309     0.1881    -4.2832	C.3	1	noname	-0.0561
12	O4    -1.3870    -0.3699     2.7980	O.2	1	noname	-0.2870
13	C8     1.8099    -1.0026    -5.0499	C.3	1	noname	-0.0654
14	H1     2.1355     0.8261     1.1739	H	1	noname	0.2213
15	H2    -0.9466    -0.3367    -0.7937	H	1	noname	0.0423
16	H3     0.0060     2.3798     0.2077	H	1	noname	0.0469
17	H4    -1.7127     1.9736    -0.4597	H	1	noname	0.0469
18	H5    -0.6866     1.2288    -2.6489	H	1	noname	0.0275
19	H6     1.0321     1.6349    -1.9816	H	1	noname	0.0275
20	H7     1.7005    -0.5705    -2.3607	H	1	noname	0.0267
21	H8    -0.0182    -0.9767    -3.0281	H	1	noname	0.0267
22	H9    -1.5474     1.8154     3.0555	H	1	noname	0.2383
23	H10    -0.6089    -0.7712     1.0385	H	1	noname	0.1255
24	H11     0.3268     0.4924    -4.8107	H	1	noname	0.0264
25	H12     2.0456     0.8985    -4.1433	H	1	noname	0.0264
26	H13     2.1727    -1.7485    -4.3427	H	1	noname	0.0230
27	H14     1.0345    -1.4430    -5.6767	H	1	noname	0.0230
28	H15     2.6352    -0.6645    -5.6767	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	10	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	10	23	1
23	11	24	1
24	11	25	1
25	13	26	1
26	13	27	1
27	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1