@<TRIPOS>MOLECULE
DB04556
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9399     2.1724    -1.1527	O.3	1	noname	-0.2858
2	C1     0.0245     2.1942    -0.2082	C.2	1	noname	0.0004
3	C2     1.2090     1.4948    -0.4080	C.2	1	noname	-0.0235
4	C3    -0.1671     2.9161     0.9641	C.2	1	noname	-0.0321
5	C4     2.2019     1.5173     0.5644	C.2	1	noname	-0.0383
6	C5     0.8259     2.9386     1.9366	C.2	1	noname	-0.0500
7	C6     2.0103     2.2392     1.7367	C.2	1	noname	-0.0641
8	C7     3.4460     0.7827     0.3545	C.3	1	noname	0.0315
9	N1     4.4179     1.6498    -0.3095	N.3	1	noname	-0.3026
10	C8     4.0052     0.3302     1.7049	C.3	1	noname	-0.0453
11	C9     3.8836     2.0821    -1.5999	C.3	1	noname	-0.0130
12	C10     5.6637     0.9141    -0.5197	C.3	1	noname	-0.0130
13	H1    -1.8015     2.1528    -0.7298	H	1	noname	0.2181
14	H2     1.3592     0.9287    -1.3273	H	1	noname	0.0653
15	H3    -1.0959     3.4645     1.1208	H	1	noname	0.0650
16	H4     0.6757     3.5047     2.8558	H	1	noname	0.0623
17	H5     2.7890     2.2568     2.4993	H	1	noname	0.0626
18	H6     3.2355    -0.0607    -0.3031	H	1	noname	0.0515
19	H7     4.0217    -0.7589     1.7449	H	1	noname	0.0250
20	H8     5.0184     0.7137     1.8255	H	1	noname	0.0250
21	H9     3.3739     0.7137     2.5065	H	1	noname	0.0250
22	H10     3.6345     1.2078    -2.2013	H	1	noname	0.0394
23	H11     2.9866     2.6804    -1.4397	H	1	noname	0.0394
24	H12     4.6312     2.6804    -2.1207	H	1	noname	0.0394
25	H13     6.1006     0.6562     0.4450	H	1	noname	0.0394
26	H14     5.4572     0.0025    -1.0805	H	1	noname	0.0394
27	H15     6.3623     1.5352    -1.0805	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	8	9	1
10	8	10	1
11	9	11	1
12	9	12	1
13	1	13	1
14	3	14	1
15	4	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	10	19	1
20	10	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	11	24	1
25	12	25	1
26	12	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1