@<TRIPOS>MOLECULE
DB01516
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7116    -1.3318    -1.5853	O.3	1	noname	-0.2585
2	C1     2.4472    -0.0520    -1.2469	C.2	1	noname	0.0413
3	C2     3.9736    -1.7104    -1.0558	C.3	1	noname	0.0425
4	C3     1.7743     0.2292    -0.0635	C.2	1	noname	0.0317
5	C4     2.8478     0.9846    -2.0817	C.2	1	noname	0.0317
6	O2     1.3852    -0.7776     0.7473	O.3	1	noname	-0.2656
7	C5     1.5021     1.5470     0.2850	C.2	1	noname	-0.0362
8	O3     3.5013     0.7116    -3.2310	O.3	1	noname	-0.2656
9	C6     2.5756     2.3024    -1.7333	C.2	1	noname	-0.0362
10	C7     0.0795    -1.2008     0.3834	C.3	1	noname	0.0424
11	C8     1.9027     2.5836    -0.5499	C.2	1	noname	-0.0499
12	C9     2.5611     0.5457    -4.2822	C.3	1	noname	0.0424
13	C10     1.6168     3.9677    -0.1839	C.3	1	noname	0.0161
14	C11     2.7768     4.5268     0.6424	C.3	1	noname	0.0052
15	N1     2.4904     5.9129     1.0089	N.3	1	noname	-0.3276
16	C12     2.9496     3.6891     1.9110	C.3	1	noname	-0.0497
17	H1     3.9294    -1.6972     0.0332	H	1	noname	0.0535
18	H2     4.2243    -2.7148    -1.3971	H	1	noname	0.0535
19	H3     4.7357    -1.0099    -1.3971	H	1	noname	0.0535
20	H4     0.9745     1.7674     1.2129	H	1	noname	0.0654
21	H5     2.8897     3.1153    -2.3879	H	1	noname	0.0654
22	H6    -0.5051    -1.3902     1.2837	H	1	noname	0.0535
23	H7    -0.4037    -0.4218    -0.2064	H	1	noname	0.0535
24	H8     0.1450    -2.1151    -0.2064	H	1	noname	0.0535
25	H9     2.4006    -0.5174    -4.4617	H	1	noname	0.0535
26	H10     1.6172     1.0136    -4.0026	H	1	noname	0.0535
27	H11     2.9439     1.0136    -5.1892	H	1	noname	0.0535
28	H12     1.5814     4.5243    -1.1204	H	1	noname	0.0331
29	H13     0.7396     3.9319     0.4622	H	1	noname	0.0331
30	H14     3.6969     4.5346     0.0580	H	1	noname	0.0462
31	H15     3.2481     6.5686     1.1355	H	1	noname	0.1186
32	H16     1.5349     6.2147     1.1355	H	1	noname	0.1186
33	H17     2.9147     2.6302     1.6547	H	1	noname	0.0246
34	H18     3.9104     3.9201     2.3708	H	1	noname	0.0246
35	H19     2.1468     3.9201     2.6111	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	7	11	2
11	8	12	1
12	9	11	1
13	11	13	1
14	13	14	1
15	14	15	1
16	14	16	1
17	3	17	1
18	3	18	1
19	3	19	1
20	7	20	1
21	9	21	1
22	10	22	1
23	10	23	1
24	10	24	1
25	12	25	1
26	12	26	1
27	12	27	1
28	13	28	1
29	13	29	1
30	14	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1