@<TRIPOS>MOLECULE
DB03948
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.4797     3.4945    -2.2119	Cl	1	noname	0.0341
2	C1    -3.4618     4.0322    -0.9787	C.2	1	noname	0.2225
3	N1    -3.7782     5.1250    -0.2117	N.2	1	noname	-0.0299
4	C2    -2.2477     3.3804    -0.6884	C.2	1	noname	0.1010
5	C3    -2.9898     5.6137     0.7998	C.2	1	noname	0.1967
6	N2    -1.6939     2.2958    -1.2328	N.2	1	noname	-0.1949
7	C4    -1.4367     3.8911     0.3289	C.2	1	noname	0.1575
8	N3    -1.8006     4.9933     1.0696	N.2	1	noname	-0.1575
9	C5    -0.5322     2.1356    -0.5797	C.2	1	noname	-0.0255
10	N4    -0.3458     3.1064     0.3499	N.3	1	noname	0.0480
11	C6     0.7892     3.3329     1.2071	C.3	1	noname	0.1590
12	O1     1.3482     4.6122     0.9485	O.3	1	noname	-0.3483
13	C7     1.9915     2.3714     1.1177	C.3	1	noname	0.1258
14	C8     2.5075     4.5973     1.7753	C.3	1	noname	0.1130
15	O2     1.7582     1.2433     1.9479	O.3	1	noname	-0.3857
16	C9     3.1254     3.1984     1.6948	C.3	1	noname	0.1127
17	C10     3.5134     5.6295     1.2619	C.3	1	noname	0.0914
18	O3     3.4280     2.7386     3.0038	O.3	1	noname	-0.3873
19	O4     2.9248     6.9214     1.2953	O.3	1	noname	-0.1525
20	P1     3.9373     7.9603     0.7785	P	1	noname	0.0149
21	O5     3.3404     9.2703     0.8124	O.2	1	noname	-0.1967
22	O6     4.3344     7.6144    -0.6686	O.3	1	noname	-0.1645
23	O7     5.1910     7.9442     1.6727	O.3	1	noname	-0.1645
24	H1    -4.6481     5.6007    -0.4042	H	1	noname	0.2955
25	H2    -3.3034     6.4815     1.3801	H	1	noname	0.1506
26	H3     0.1676     1.3239    -0.7781	H	1	noname	0.1017
27	H4     0.2876     3.2598     2.1721	H	1	noname	0.0853
28	H5     2.1891     1.9386     0.1369	H	1	noname	0.0674
29	H6     2.1776     4.8470     2.7837	H	1	noname	0.0657
30	H7     1.8128     1.5073     2.8693	H	1	noname	0.2107
31	H8     4.0741     3.1251     1.1631	H	1	noname	0.0657
32	H9     4.3444     5.6703     1.9660	H	1	noname	0.0605
33	H10     3.7014     5.4228     0.2083	H	1	noname	0.0605
34	H11     3.4301     1.7786     3.0132	H	1	noname	0.2106
35	H12     4.3632     6.6605    -0.7732	H	1	noname	0.2283
36	H13     4.9260     7.9476     2.5954	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	6	9	2
9	7	10	1
10	7	8	1
11	9	10	1
12	11	10	1
13	11	12	1
14	11	13	1
15	12	14	1
16	13	15	1
17	13	16	1
18	14	17	1
19	14	16	1
20	16	18	1
21	17	19	1
22	19	20	1
23	20	21	2
24	20	22	1
25	20	23	1
26	3	24	1
27	5	25	1
28	9	26	1
29	11	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	17	33	1
36	18	34	1
37	22	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1