@<TRIPOS>MOLECULE
DB00916
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7426    -1.0496    -0.2139	O.2	1	noname	-0.1364
2	N1    -0.5962    -1.0779    -0.0086	N.2	1	noname	-0.0048
3	O2    -0.0191    -2.1831     0.2052	O.3	1	noname	-0.1364
4	C1     0.0926     0.0304     0.0007	C.2	1	noname	0.0169
5	N2     1.4099     0.1378     0.2224	N.3	1	noname	0.0398
6	C2    -0.4104     1.3067    -0.2174	C.2	1	noname	0.0880
7	C3     1.7329     1.4390     0.1476	C.2	1	noname	-0.0012
8	C4     2.2977    -0.9252     0.4868	C.3	1	noname	-0.0197
9	N3     0.6269     2.1515    -0.1198	N.2	1	noname	-0.2256
10	C5     3.0726     1.9906     0.3282	C.3	1	noname	0.0461
11	C6     2.8684    -1.4528    -0.8311	C.3	1	noname	0.0594
12	O3     3.7625    -2.5234    -0.5648	O.3	1	noname	-0.3946
13	H1    -1.4402     1.5952    -0.4284	H	1	noname	0.0879
14	H2     3.1143    -0.4837     1.0581	H	1	noname	0.0497
15	H3     1.6844    -1.7098     0.9299	H	1	noname	0.0497
16	H4     3.2884     2.0795     1.3929	H	1	noname	0.0309
17	H5     3.8036     1.3292    -0.1367	H	1	noname	0.0309
18	H6     3.1259     2.9751    -0.1367	H	1	noname	0.0309
19	H7     2.0501    -1.8924    -1.4014	H	1	noname	0.0580
20	H8     3.4799    -0.6663    -1.2732	H	1	noname	0.0580
21	H9     3.8551    -2.6344     0.3842	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	7	9	2
11	8	11	1
12	11	12	1
13	6	13	1
14	8	14	1
15	8	15	1
16	10	16	1
17	10	17	1
18	10	18	1
19	11	19	1
20	11	20	1
21	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1