@<TRIPOS>MOLECULE
DB02277
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.0011    -2.2222    -0.4611	Cl	1	noname	-0.0853
2	C1     1.2339    -0.5519    -0.5020	C.2	1	noname	-0.0119
3	C2     1.9504     0.0665     0.5696	C.2	1	noname	-0.0192
4	C3     0.7059     0.1873    -1.6080	C.2	1	noname	-0.0192
5	C4     2.1209     1.4803     0.5473	C.2	1	noname	-0.0239
6	C5     0.8809     1.6052    -1.6379	C.2	1	noname	-0.0239
7	C6     1.5575     2.2530    -0.5509	C.2	1	noname	-0.0172
8	N1     1.5713     3.6255    -0.6256	N.3	1	noname	-0.1257
9	C7     1.4690     4.4043     0.5590	C.2	1	noname	0.1241
10	O1     1.2613     3.8266     1.6479	O.2	1	noname	-0.2534
11	N2     1.5949     5.8105     0.5434	N.3	1	noname	-0.1150
12	C8     2.1097     6.5062     1.5913	C.2	1	noname	-0.0299
13	N3     2.1222     7.8398     1.6107	N.3	1	noname	-0.0096
14	C9     2.7071     6.0647     2.7693	C.2	1	noname	0.0258
15	N4     2.6536     8.2562     2.7176	N.2	1	noname	-0.3153
16	C10     1.6318     8.6711     0.5828	C.3	1	noname	-0.0311
17	C11     3.0240     7.2147     3.4779	C.2	1	noname	0.0275
18	C12     3.6427     7.2791     4.7988	C.3	1	noname	0.0580
19	C13     2.7064     8.0070     5.7654	C.3	1	noname	-0.0545
20	C14     4.9683     8.0372     4.7047	C.3	1	noname	-0.0545
21	C15     3.9015     5.8607     5.3104	C.3	1	noname	-0.0545
22	H1     2.3585    -0.5278     1.3872	H	1	noname	0.0638
23	H2     0.1787    -0.3217    -2.4149	H	1	noname	0.0638
24	H3     2.6719     1.9616     1.3553	H	1	noname	0.0639
25	H4     0.5029     2.1856    -2.4796	H	1	noname	0.0639
26	H5     1.6551     4.0546    -1.5360	H	1	noname	0.1385
27	H6     1.3011     6.3473    -0.2601	H	1	noname	0.1398
28	H7     2.8887     5.0339     3.0733	H	1	noname	0.0673
29	H8     1.2445     8.0552    -0.2289	H	1	noname	0.0454
30	H9     0.8326     9.3003     0.9746	H	1	noname	0.0454
31	H10     2.4391     9.3003     0.2081	H	1	noname	0.0454
32	H11     2.9967     7.7814     6.7916	H	1	noname	0.0240
33	H12     2.7740     9.0818     5.5967	H	1	noname	0.0240
34	H13     1.6815     7.6766     5.5967	H	1	noname	0.0240
35	H14     5.3380     8.2486     5.7080	H	1	noname	0.0240
36	H15     5.6975     7.4290     4.1694	H	1	noname	0.0240
37	H16     4.8139     8.9741     4.1694	H	1	noname	0.0240
38	H17     3.9013     5.8619     6.4004	H	1	noname	0.0240
39	H18     3.1183     5.1950     4.9477	H	1	noname	0.0240
40	H19     4.8694     5.5146     4.9477	H	1	noname	0.0240
@<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	2
11	9	11	1
12	11	12	1
13	12	13	1
14	12	14	2
15	13	15	1
16	13	16	1
17	14	17	1
18	15	17	2
19	17	18	1
20	18	19	1
21	18	20	1
22	18	21	1
23	3	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	8	26	1
28	11	27	1
29	14	28	1
30	16	29	1
31	16	30	1
32	16	31	1
33	19	32	1
34	19	33	1
35	19	34	1
36	20	35	1
37	20	36	1
38	20	37	1
39	21	38	1
40	21	39	1
41	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1