@<TRIPOS>MOLECULE
DB07047
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.9792    -0.9563    -0.2537	Cl	1	noname	-0.0781
2	C1     0.9044     0.3434    -0.2120	C.2	1	noname	0.0075
3	C2    -0.4629     0.1118    -0.1180	C.2	1	noname	-0.0052
4	C3     1.3862     1.6459    -0.2717	C.2	1	noname	0.0087
5	C4    -0.9447    -1.1906    -0.0582	C.2	1	noname	-0.0343
6	C5    -1.3484     1.1827    -0.0836	C.2	1	noname	-0.0304
7	C6     0.5007     2.7167    -0.2374	C.2	1	noname	-0.0051
8	C7    -2.3121    -1.4222     0.0358	C.2	1	noname	0.0181
9	C8    -0.0592    -2.2615    -0.0925	C.2	1	noname	-0.0108
10	C9    -0.8666     2.4851    -0.1434	C.2	1	noname	-0.0214
11	Cl2     1.0855     4.2975    -0.3099	Cl	1	noname	-0.0831
12	C10    -2.7939    -2.7247     0.0956	C.2	1	noname	0.0256
13	C11    -0.5410    -3.5640    -0.0328	C.2	1	noname	-0.0105
14	C12    -1.9083    -3.7956     0.0613	C.2	1	noname	0.0515
15	C13    -4.1612    -2.9563     0.1896	C.2	1	noname	0.0942
16	O1    -2.3763    -5.0605     0.1193	O.3	1	noname	-0.2760
17	O2    -4.9684    -2.1480    -0.3180	O.2	1	noname	-0.2570
18	O3    -4.6174    -4.0541     0.8292	O.3	1	noname	-0.2173
19	H1     2.4585     1.8275    -0.3455	H	1	noname	0.0654
20	H2    -2.4207     1.0011    -0.0099	H	1	noname	0.0630
21	H3    -3.0065    -0.5825     0.0627	H	1	noname	0.0638
22	H4     1.0130    -2.0799    -0.1663	H	1	noname	0.0630
23	H5    -1.5611     3.3249    -0.1165	H	1	noname	0.0638
24	H6     0.1534    -4.4037    -0.0597	H	1	noname	0.0650
25	H7    -2.4737    -5.3239     1.0373	H	1	noname	0.2182
26	H8    -4.5610    -3.9184     1.7779	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	9	13	2
14	12	14	2
15	12	15	1
16	13	14	1
17	14	16	1
18	15	17	2
19	15	18	1
20	4	19	1
21	6	20	1
22	8	21	1
23	9	22	1
24	10	23	1
25	13	24	1
26	16	25	1
27	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1