@<TRIPOS>MOLECULE
DB00791
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.8728    -2.4489    -3.3549	Cl	1	noname	-0.1252
2	C1    -0.2427    -1.8746    -1.8186	C.3	1	noname	0.0355
3	C2    -1.4061    -1.4971    -0.8994	C.3	1	noname	0.0169
4	N1    -0.9004    -1.0361     0.3335	N.3	1	noname	-0.1157
5	C3    -0.1282     0.0391     0.1257	C.2	1	noname	-0.0303
6	C4    -1.9725    -0.6882     1.1807	C.3	1	noname	0.0169
7	C5     1.2732    -0.0565    -0.1201	C.2	1	noname	0.0626
8	C6    -0.6434     1.3688     0.1330	C.2	1	noname	-0.0462
9	C7    -2.8542    -1.9159     1.4179	C.3	1	noname	0.0355
10	O1     1.8124    -1.1840    -0.1447	O.2	1	noname	-0.2822
11	N2     2.0451     1.0599    -0.3305	N.3	1	noname	0.0820
12	N3     0.1675     2.4563    -0.0825	N.3	1	noname	0.0218
13	Cl2    -4.1902    -1.4823     2.4735	Cl	1	noname	-0.1252
14	C8     1.5230     2.3384    -0.3187	C.2	1	noname	0.0216
15	O2     2.2434     3.3414    -0.5126	O.2	1	noname	-0.2828
16	H1     0.2505    -2.6998    -1.3047	H	1	noname	0.0448
17	H2     0.2893    -0.9370    -1.9797	H	1	noname	0.0448
18	H3    -1.9216    -0.6424    -1.3374	H	1	noname	0.0447
19	H4    -1.9604    -2.4051    -0.6624	H	1	noname	0.0447
20	H5    -1.5126    -0.4117     2.1294	H	1	noname	0.0447
21	H6    -2.5546     0.0454     0.6229	H	1	noname	0.0447
22	H7    -1.7012     1.5621     0.3108	H	1	noname	0.0773
23	H8    -3.2454    -2.1621     0.4308	H	1	noname	0.0448
24	H9    -2.2034    -2.6193     1.9373	H	1	noname	0.0448
25	H10     3.0330     0.9361    -0.5002	H	1	noname	0.1418
26	H11    -0.2484     3.3766    -0.0668	H	1	noname	0.1379
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	1
13	11	14	1
14	12	14	1
15	14	15	2
16	2	16	1
17	2	17	1
18	3	18	1
19	3	19	1
20	6	20	1
21	6	21	1
22	8	22	1
23	9	23	1
24	9	24	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1