@<TRIPOS>MOLECULE
DB01816
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0747    -1.9701    -3.2523	O.3	1	noname	-0.3875
2	C1     0.6346    -1.8139    -1.9113	C.3	1	noname	0.1087
3	C2     0.0828    -0.4002    -1.7170	C.3	1	noname	0.1006
4	C3     1.7734    -2.2937    -0.9232	C.3	1	noname	0.0953
5	O2    -1.2989    -0.3823    -2.0443	O.3	1	noname	-0.3885
6	C4     0.2666     0.0225    -0.2604	C.3	1	noname	0.0645
7	O3     1.4612    -3.5900    -0.4348	O.3	1	noname	-0.3889
8	C5     2.1294    -1.3637     0.2681	C.3	1	noname	0.0275
9	N1     1.6725     0.0163     0.1128	N.3	1	noname	-0.2925
10	C6    -0.1695     1.4585     0.0158	C.3	1	noname	0.0735
11	C7     1.6178     0.6641     1.4276	C.3	1	noname	0.0013
12	O4     0.3172     2.3072    -1.0134	O.3	1	noname	-0.3912
13	C8     0.5645     1.7676     1.3210	C.3	1	noname	-0.0125
14	H1     1.1428    -2.9049    -3.4599	H	1	noname	0.2106
15	H2    -0.2279    -2.4671    -1.7781	H	1	noname	0.0656
16	H3     0.5534     0.3087    -2.3982	H	1	noname	0.0646
17	H4     2.6915    -2.3888    -1.5030	H	1	noname	0.0642
18	H5    -1.8189    -0.3755    -1.2373	H	1	noname	0.2106
19	H6    -0.3004    -0.7039     0.3219	H	1	noname	0.0522
20	H7     1.4637    -3.5795     0.5251	H	1	noname	0.2106
21	H8     1.5839    -1.7369     1.1349	H	1	noname	0.0458
22	H9     3.2165    -1.2904     0.2985	H	1	noname	0.0458
23	H10    -1.2444     1.6390     0.0159	H	1	noname	0.0618
24	H11     1.2541    -0.0843     2.1317	H	1	noname	0.0431
25	H12     2.5875     1.1358     1.5861	H	1	noname	0.0431
26	H13     0.6582     1.7728    -1.7343	H	1	noname	0.2105
27	H14     1.0853     2.7169     1.1957	H	1	noname	0.0306
28	H15    -0.1414     1.6373     2.1412	H	1	noname	0.0306
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	8	9	1
11	9	11	1
12	10	12	1
13	10	13	1
14	11	13	1
15	1	14	1
16	2	15	1
17	3	16	1
18	4	17	1
19	5	18	1
20	6	19	1
21	7	20	1
22	8	21	1
23	8	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1