@<TRIPOS>MOLECULE
DB06914
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.2260    10.6029     5.9619	Cl	1	noname	-0.0863
2	C1    -1.5549     9.5334     4.8430	C.2	1	noname	-0.0206
3	C2    -0.1299     9.5194     4.6721	C.2	1	noname	-0.0283
4	C3    -2.4299     8.6755     4.1013	C.2	1	noname	-0.0283
5	C4     0.4331     8.6147     3.7153	C.2	1	noname	-0.0539
6	C5    -1.8567     7.7783     3.1562	C.2	1	noname	-0.0539
7	C6    -0.4403     7.7531     2.9578	C.2	1	noname	-0.0529
8	C7     0.0397     6.7626     1.9844	C.3	1	noname	0.0086
9	C8     0.1940     7.3288     0.5385	C.3	1	noname	0.0071
10	C9     1.0425     6.4656    -0.4548	C.3	1	noname	0.1846
11	O1     1.0258     7.1387    -1.7254	O.3	1	noname	-0.3458
12	O2     0.3824     5.2022    -0.7355	O.3	1	noname	-0.3458
13	C10     2.5004     6.2822     0.1428	C.3	1	noname	-0.0233
14	C11     1.2255     6.1399    -2.7153	C.3	1	noname	0.0738
15	C12     0.6816     4.8680    -2.0955	C.3	1	noname	0.0738
16	N1     3.5306     7.2729    -0.0536	N.3	1	noname	-0.0426
17	C13     4.7821     7.1175     0.4265	C.2	1	noname	-0.0478
18	C14     3.4882     8.4470    -0.7095	C.2	1	noname	-0.0704
19	N2     5.5327     8.1634     0.0616	N.2	1	noname	-0.2420
20	C15     4.7643     9.0071    -0.6481	C.2	1	noname	0.0083
21	H1     0.5103    10.1809     5.2557	H	1	noname	0.0638
22	H2    -3.5089     8.7049     4.2529	H	1	noname	0.0638
23	H3     1.5123     8.5824     3.5657	H	1	noname	0.0626
24	H4    -2.5019     7.1109     2.5849	H	1	noname	0.0626
25	H5     1.0383     6.4956     2.3304	H	1	noname	0.0318
26	H6    -0.7448     6.0067     1.9487	H	1	noname	0.0318
27	H7    -0.8145     7.3382     0.1251	H	1	noname	0.0325
28	H8     0.7446     8.2625     0.6534	H	1	noname	0.0325
29	H9     2.3882     6.2873     1.2270	H	1	noname	0.0529
30	H10     2.9274     5.4126    -0.3567	H	1	noname	0.0529
31	H11     0.5999     6.4108    -3.5658	H	1	noname	0.0592
32	H12     2.3029     6.0348    -2.8428	H	1	noname	0.0592
33	H13     1.4811     4.1276    -2.0677	H	1	noname	0.0592
34	H14    -0.2672     4.6279    -2.5753	H	1	noname	0.0592
35	H15     5.1340     6.2737     1.0200	H	1	noname	0.1015
36	H16     2.6020     8.8597    -1.1916	H	1	noname	0.0808
37	H17     5.1042     9.9474    -1.0823	H	1	noname	0.0853
@<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	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	12	15	1
16	13	16	1
17	14	15	1
18	16	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	3	21	1
24	4	22	1
25	5	23	1
26	6	24	1
27	8	25	1
28	8	26	1
29	9	27	1
30	9	28	1
31	13	29	1
32	13	30	1
33	14	31	1
34	14	32	1
35	15	33	1
36	15	34	1
37	17	35	1
38	18	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1