@<TRIPOS>MOLECULE
DB03996
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.6383    -1.8524     0.1195	Cl	1	noname	-0.0772
2	C1     1.7244    -1.0091     1.2595	C.2	1	noname	0.0103
3	C2     0.2996    -0.8657     1.0652	C.2	1	noname	0.0004
4	C3     2.3667    -0.4498     2.3974	C.2	1	noname	-0.0213
5	C4    -0.3655    -1.4107    -0.0555	C.2	1	noname	0.0316
6	C5    -0.4731    -0.1411     2.0487	C.2	1	noname	-0.0271
7	C6     1.5519     0.2600     3.3429	C.2	1	noname	-0.0441
8	N1    -1.6253    -1.2965    -0.2484	N.2	1	noname	-0.2587
9	C7     0.2051    -2.1656    -1.1517	C.3	1	noname	0.0138
10	C8     0.1386     0.4295     3.1962	C.2	1	noname	-0.0518
11	N2    -2.0171    -1.8526    -1.3043	N.3	1	noname	0.0720
12	C9    -0.9923    -2.4753    -2.0391	C.3	1	noname	0.0701
13	C10    -3.2985    -1.8526    -1.6961	C.2	1	noname	0.0950
14	C11    -1.2190    -3.9173    -2.0647	C.2	1	noname	-0.0370
15	O1    -4.2126    -1.8176    -0.8441	O.2	1	noname	-0.2820
16	C12    -3.6271    -1.8934    -3.1180	C.3	1	noname	0.0115
17	C13    -1.1634    -4.6083    -3.2695	C.2	1	noname	-0.0226
18	C14    -1.4906    -4.5993    -0.8843	C.2	1	noname	-0.0633
19	C15    -1.3793    -5.9812    -3.2939	C.2	1	noname	0.0006
20	C16    -1.7064    -5.9722    -0.9087	C.2	1	noname	-0.0498
21	O2    -1.3252    -6.6523    -4.4641	O.3	1	noname	-0.2858
22	C17    -1.6508    -6.6632    -2.1135	C.2	1	noname	-0.0321
23	H1     3.4418    -0.5609     2.5392	H	1	noname	0.0638
24	H2    -1.5490    -0.0213     1.9213	H	1	noname	0.0630
25	H3     2.0323     0.6937     4.2199	H	1	noname	0.0623
26	H4     0.8759    -1.4960    -1.6901	H	1	noname	0.0353
27	H5     0.5846    -3.0997    -0.7373	H	1	noname	0.0353
28	H6    -0.4515     0.9745     3.9330	H	1	noname	0.0622
29	H7    -0.9571    -2.1440    -3.0769	H	1	noname	0.0547
30	H8    -3.7025    -2.9308    -3.4439	H	1	noname	0.0325
31	H9    -4.5793    -1.3899    -3.2855	H	1	noname	0.0325
32	H10    -2.8450    -1.3899    -3.6863	H	1	noname	0.0325
33	H11    -0.9505    -4.0736    -4.1952	H	1	noname	0.0653
34	H12    -1.5342    -4.0574     0.0605	H	1	noname	0.0626
35	H13    -1.9194    -6.5070     0.0169	H	1	noname	0.0623
36	H14    -1.3332    -7.5968    -4.2920	H	1	noname	0.2181
37	H15    -1.8201    -7.7398    -2.1327	H	1	noname	0.0650
@<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	10	1
11	8	11	1
12	9	12	1
13	11	13	1
14	11	12	1
15	12	14	1
16	13	15	2
17	13	16	1
18	14	17	2
19	14	18	1
20	17	19	1
21	18	20	2
22	19	21	1
23	19	22	2
24	20	22	1
25	4	23	1
26	6	24	1
27	7	25	1
28	9	26	1
29	9	27	1
30	10	28	1
31	12	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	20	35	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1