@<TRIPOS>MOLECULE
DB04165
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4309    -0.9047     0.3457	O.2	1	noname	-0.2974
2	C1     0.9032    -0.0659    -0.4161	C.2	1	noname	0.0340
3	N1     1.6692     0.6855    -1.2188	N.3	1	noname	-0.0899
4	C2    -0.5478     0.0951    -0.4314	C.3	1	noname	0.0324
5	C3    -0.9056     1.5317    -0.0452	C.3	1	noname	-0.0424
6	C4    -1.0793    -0.2031    -1.8348	C.3	1	noname	-0.0424
7	C5    -0.3742     1.8299     1.3582	C.3	1	noname	-0.0554
8	C6    -0.7215    -1.6397    -2.2210	C.3	1	noname	-0.0554
9	C7    -0.7320     3.2665     1.7444	C.3	1	noname	-0.0653
10	C8    -1.2530    -1.9379    -3.6244	C.3	1	noname	-0.0653
11	H1     2.5704     0.3442    -1.5213	H	1	noname	0.1271
12	H2     1.3453     1.5931    -1.5213	H	1	noname	0.1271
13	H3    -0.9538    -0.6112     0.2927	H	1	noname	0.0397
14	H4    -0.3670     2.1854    -0.7312	H	1	noname	0.0274
15	H5    -1.9930     1.5803     0.0132	H	1	noname	0.0274
16	H6    -2.1667    -0.1545    -1.7764	H	1	noname	0.0274
17	H7    -0.5406     0.4506    -2.5208	H	1	noname	0.0274
18	H8    -0.9129     1.1762     2.0442	H	1	noname	0.0264
19	H9     0.7132     1.7813     1.2998	H	1	noname	0.0264
20	H10     0.3659    -1.6883    -2.2795	H	1	noname	0.0264
21	H11    -1.2602    -2.2934    -1.5351	H	1	noname	0.0264
22	H12    -0.7543     3.3559     2.8305	H	1	noname	0.0230
23	H13     0.0153     3.9486     1.3390	H	1	noname	0.0230
24	H14    -1.7119     3.5184     1.3390	H	1	noname	0.0230
25	H15    -1.3082    -3.0167    -3.7704	H	1	noname	0.0230
26	H16    -2.2469    -1.5048    -3.7362	H	1	noname	0.0230
27	H17    -0.5823    -1.5048    -4.3666	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	8	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	9	24	1
24	10	25	1
25	10	26	1
26	10	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1