@<TRIPOS>MOLECULE
DB01114
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.5385    -0.8806    -2.5166	Cl	1	noname	-0.0851
2	C1     0.2102     0.4586    -1.8150	C.2	1	noname	-0.0132
3	C2     0.8625     0.2752    -0.5585	C.2	1	noname	-0.0259
4	C3     0.1491     1.7053    -2.5202	C.2	1	noname	-0.0259
5	C4     1.5087     1.4123    -0.0004	C.2	1	noname	-0.0447
6	C5     0.8158     2.8364    -1.9438	C.2	1	noname	-0.0447
7	C6     1.5197     2.6850    -0.6930	C.2	1	noname	-0.0474
8	C7     2.1760     3.8922    -0.0736	C.3	1	noname	0.0646
9	C8     1.1851     4.5996     0.7882	C.2	1	noname	0.0037
10	C9     3.5586     3.7075     0.6597	C.3	1	noname	-0.0279
11	N1     0.8208     5.9040     0.4820	N.2	1	noname	-0.2557
12	C10     0.5861     3.9486     1.9175	C.2	1	noname	-0.0274
13	C11     4.5929     3.1680    -0.3302	C.3	1	noname	-0.0014
14	C12    -0.0708     6.6657     1.2129	C.2	1	noname	-0.0046
15	C13    -0.3356     4.6933     2.6918	C.2	1	noname	-0.0429
16	N2     5.8756     2.9966     0.3501	N.3	1	noname	-0.3092
17	C14    -0.6511     6.0385     2.3471	C.2	1	noname	-0.0338
18	C15     6.8639     2.4810    -0.5958	C.3	1	noname	-0.0136
19	C16     5.7189     2.0516     1.4546	C.3	1	noname	-0.0136
20	H1     0.8671    -0.6883    -0.0489	H	1	noname	0.0638
21	H2    -0.3874     1.7906    -3.4651	H	1	noname	0.0638
22	H3     1.9999     1.3075     0.9669	H	1	noname	0.0626
23	H4     0.7879     3.8008    -2.4509	H	1	noname	0.0626
24	H5     2.4123     4.5034    -0.9447	H	1	noname	0.0418
25	H6     3.9047     4.6986     0.9530	H	1	noname	0.0290
26	H7     3.4242     2.9320     1.4138	H	1	noname	0.0290
27	H8     0.8245     2.9179     2.1796	H	1	noname	0.0641
28	H9     4.2743     2.1686    -0.6265	H	1	noname	0.0430
29	H10     4.7548     3.9352    -1.0873	H	1	noname	0.0430
30	H11    -0.3002     7.6890     0.9158	H	1	noname	0.0839
31	H12    -0.8052     4.2281     3.5585	H	1	noname	0.0623
32	H13    -1.3519     6.6001     2.9648	H	1	noname	0.0638
33	H14     7.6991     2.0454    -0.0474	H	1	noname	0.0394
34	H15     6.4031     1.7176    -1.2227	H	1	noname	0.0394
35	H16     7.2264     3.2957    -1.2227	H	1	noname	0.0394
36	H17     5.7732     1.0326     1.0715	H	1	noname	0.0394
37	H18     6.5145     2.2089     2.1829	H	1	noname	0.0394
38	H19     4.7522     2.2089     1.9330	H	1	noname	0.0394
@<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	8	10	1
11	9	11	2
12	9	12	1
13	10	13	1
14	11	14	1
15	12	15	2
16	13	16	1
17	14	17	2
18	15	17	1
19	16	18	1
20	16	19	1
21	3	20	1
22	4	21	1
23	5	22	1
24	6	23	1
25	8	24	1
26	10	25	1
27	10	26	1
28	12	27	1
29	13	28	1
30	13	29	1
31	14	30	1
32	15	31	1
33	17	32	1
34	18	33	1
35	18	34	1
36	18	35	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1