@<TRIPOS>MOLECULE
DB07016
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2582     0.4113    -1.8504	S	1	noname	-0.0356
2	O1     3.2738    -0.8120    -1.8377	O.2	1	noname	-0.1992
3	O2     2.1810     1.3673    -3.1186	O.2	1	noname	-0.1992
4	C1     1.2372     0.7022    -0.4845	C.2	1	noname	-0.0062
5	C2     0.6429    -0.3799     0.2398	C.2	1	noname	0.0285
6	C3     0.9577     2.0313    -0.0399	C.2	1	noname	-0.0013
7	N1     1.0185    -1.6930     0.0134	N.3	1	noname	-0.1296
8	C4    -0.2742    -0.0999     1.3123	C.2	1	noname	-0.0445
9	C5     0.1244     2.2821     1.0919	C.2	1	noname	-0.0722
10	C6     0.6679    -2.8218     0.8523	C.3	1	noname	0.0029
11	C7    -0.5088     1.2223     1.7907	C.2	1	noname	-0.0331
12	C8    -1.0189    -1.2058     1.9470	C.3	1	noname	0.0128
13	C9    -0.1227    -2.4534     2.1424	C.3	1	noname	-0.0272
14	C10     0.8597    -2.2013     3.2880	C.3	1	noname	-0.0610
15	H1     3.0373     0.1894    -2.8927	H	1	noname	0.1952
16	H2     1.3910     2.8747    -0.5775	H	1	noname	0.0639
17	H3     1.5817    -1.8359    -0.8128	H	1	noname	0.1281
18	H4    -0.0320     3.3064     1.4303	H	1	noname	0.0623
19	H5     0.0027    -3.4211     0.2307	H	1	noname	0.0434
20	H6     1.6281    -3.2270     1.1712	H	1	noname	0.0434
21	H7    -1.1454     1.4148     2.6543	H	1	noname	0.0626
22	H8    -1.2881    -0.8436     2.9392	H	1	noname	0.0319
23	H9    -1.7989    -1.4773     1.2357	H	1	noname	0.0319
24	H10    -0.7723    -3.2916     2.3942	H	1	noname	0.0316
25	H11     1.2032    -3.1551     3.6885	H	1	noname	0.0234
26	H12     1.7135    -1.6346     2.9164	H	1	noname	0.0234
27	H13     0.3622    -1.6346     4.0751	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	11	1
13	10	13	1
14	12	13	1
15	13	14	1
16	1	15	1
17	6	16	1
18	7	17	1
19	9	18	1
20	10	19	1
21	10	20	1
22	11	21	1
23	12	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	14	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1