@<TRIPOS>MOLECULE
DB04871
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.6329     4.0215    -0.5940	Cl	1	noname	-0.0860
2	C1     1.7678     2.6072    -0.2821	C.2	1	noname	-0.0204
3	C2     0.3982     2.5322    -0.6569	C.2	1	noname	-0.0285
4	C3     2.4208     1.5199     0.3473	C.2	1	noname	-0.0339
5	C4    -0.3240     1.3344    -0.3766	C.2	1	noname	-0.0465
6	C5     1.7332     0.3107     0.6148	C.2	1	noname	-0.0534
7	C6     0.3581     0.1960     0.2381	C.2	1	noname	-0.0526
8	C7    -1.7548     1.4547    -0.7574	C.3	1	noname	0.0207
9	C8    -0.1573    -1.1501     0.5764	C.3	1	noname	0.0139
10	C9    -2.7131     0.6472     0.1455	C.3	1	noname	0.0018
11	C10    -1.9340     1.0162    -2.2122	C.3	1	noname	-0.0572
12	C11    -1.3932    -1.5870    -0.2446	C.3	1	noname	-0.0007
13	N1    -2.6499    -0.8362     0.0131	N.3	1	noname	-0.3157
14	H1    -0.0876     3.3751    -1.1485	H	1	noname	0.0641
15	H2     3.4691     1.6153     0.6303	H	1	noname	0.0638
16	H3     2.2520    -0.5154     1.1010	H	1	noname	0.0626
17	H4    -1.9819     2.5125    -0.6250	H	1	noname	0.0362
18	H5     0.6494    -1.8331     0.3104	H	1	noname	0.0329
19	H6    -0.4853    -1.0713     1.6129	H	1	noname	0.0329
20	H7    -2.3991     0.8451     1.1704	H	1	noname	0.0434
21	H8    -3.7213     0.9089    -0.1758	H	1	noname	0.0434
22	H9    -1.9405    -0.0725    -2.2654	H	1	noname	0.0237
23	H10    -2.8779     1.4043    -2.5951	H	1	noname	0.0237
24	H11    -1.1113     1.4043    -2.8127	H	1	noname	0.0237
25	H12    -1.1556    -1.3727    -1.2866	H	1	noname	0.0431
26	H13    -1.6165    -2.6081     0.0646	H	1	noname	0.0431
27	H14    -3.5073    -1.3626     0.1031	H	1	noname	0.1222
@<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	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	10	13	1
14	12	13	1
15	3	14	1
16	4	15	1
17	6	16	1
18	8	17	1
19	9	18	1
20	9	19	1
21	10	20	1
22	10	21	1
23	11	22	1
24	11	23	1
25	11	24	1
26	12	25	1
27	12	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1