@<TRIPOS>MOLECULE
DB07100
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -3.2622    -6.1100     0.3262	Cl	1	noname	-0.0735
2	C1    -3.2978    -4.4259     0.2337	C.2	1	noname	0.0047
3	C2    -4.3735    -3.6747     0.8060	C.2	1	noname	0.0354
4	C3    -2.2520    -3.6965    -0.4207	C.2	1	noname	0.0043
5	O1    -5.3468    -4.3442     1.4596	O.3	1	noname	-0.2761
6	C4    -4.4685    -2.2520     0.7200	C.2	1	noname	0.0101
7	C5    -2.2762    -2.2589    -0.4928	C.2	1	noname	-0.0090
8	C6    -3.4117    -1.5585     0.0508	C.2	1	noname	0.0235
9	C7    -1.1825    -1.4489    -0.9488	C.2	1	noname	-0.1070
10	O2    -3.4798    -0.2161    -0.0743	O.3	1	noname	-0.2800
11	N1    -1.3245    -0.1412    -1.2263	N.3	1	noname	-0.0493
12	C8     0.1924    -1.6994    -1.0594	C.2	1	noname	0.0326
13	N2    -0.1915     0.4403    -1.4323	N.2	1	noname	-0.2920
14	N3     0.8795    -2.8757    -0.9255	N.3	1	noname	-0.1121
15	C9     0.7828    -0.4612    -1.3316	C.2	1	noname	0.0446
16	C10     0.5909    -3.9785    -1.8110	C.3	1	noname	0.0158
17	C11     2.0187    -2.9567    -0.0414	C.3	1	noname	0.0158
18	C12     1.8120    -4.8825    -2.1588	C.3	1	noname	0.0084
19	C13     3.2979    -3.1669    -0.9153	C.3	1	noname	0.0084
20	N4     3.1309    -4.2007    -1.9929	N.3	1	noname	-0.3141
21	H1    -1.4243    -4.2443    -0.8712	H	1	noname	0.0647
22	H2    -5.2164    -4.2545     2.4065	H	1	noname	0.2182
23	H3    -5.3152    -1.7160     1.1488	H	1	noname	0.0678
24	H4    -3.5003     0.1859     0.7973	H	1	noname	0.2182
25	H5    -2.2011     0.3581    -1.2754	H	1	noname	0.1755
26	H6     1.8423    -0.2332    -1.4477	H	1	noname	0.0874
27	H7    -0.1117    -4.5929    -1.2480	H	1	noname	0.0448
28	H8     0.2745    -3.4983    -2.7370	H	1	noname	0.0448
29	H9     2.0883    -1.9816     0.4407	H	1	noname	0.0448
30	H10     1.8626    -3.8522     0.5601	H	1	noname	0.0448
31	H11     1.8186    -5.6929    -1.4300	H	1	noname	0.0441
32	H12     1.7414    -5.1072    -3.2231	H	1	noname	0.0441
33	H13     3.4709    -2.2301    -1.4450	H	1	noname	0.0441
34	H14     4.0651    -3.5683    -0.2532	H	1	noname	0.0441
35	H15     3.9011    -4.4360    -2.6024	H	1	noname	0.1223
@<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	6	8	2
8	7	9	1
9	7	8	1
10	8	10	1
11	9	11	1
12	9	12	2
13	11	13	1
14	12	14	1
15	12	15	1
16	13	15	2
17	14	16	1
18	14	17	1
19	16	18	1
20	17	19	1
21	18	20	1
22	19	20	1
23	4	21	1
24	5	22	1
25	6	23	1
26	10	24	1
27	11	25	1
28	15	26	1
29	16	27	1
30	16	28	1
31	17	29	1
32	17	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1