@<TRIPOS>MOLECULE
58381554
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -6.8167     4.6359    -4.1532	Cl	1	noname	-0.1252
2	O1     5.8946     4.7653    -2.1576	O.3	1	noname	-0.2189
3	O2     3.7711     5.0113    -2.8664	O.2	1	noname	-0.2559
4	N1     0.0677     0.8530    -0.8276	N.3	1	noname	-0.0348
5	N2    -0.2333     2.9816    -0.2870	N.2	1	noname	-0.2534
6	N3    -5.0349     2.8021    -1.1427	N.3	1	noname	-0.1421
7	C1     0.6776     2.0060    -0.4830	C.2	1	noname	-0.0400
8	C2     2.1210     2.1742    -0.3419	C.3	1	noname	0.0041
9	C3    -1.2465     1.0988    -0.8715	C.2	1	noname	-0.0751
10	C4    -1.4378     2.4519    -0.5276	C.2	1	noname	0.0049
11	C5     2.6080     3.2432    -1.3222	C.3	1	noname	-0.0371
12	C6    -2.3201     0.2720    -1.3011	C.2	1	noname	-0.0327
13	C7    -2.7155     3.0719    -0.5923	C.2	1	noname	-0.0103
14	C8    -3.8124     2.2623    -1.0441	C.2	1	noname	-0.0142
15	C9     0.6977    -0.3804    -1.0921	C.3	1	noname	-0.0583
16	C10     4.1206     3.4196    -1.1743	C.3	1	noname	0.0339
17	C11    -3.6177     0.8809    -1.3923	C.2	1	noname	-0.0450
18	C12    -5.2067     3.3441    -2.4329	C.3	1	noname	0.0136
19	C13     4.5854     4.4396    -2.1098	C.2	1	noname	0.1348
20	C14    -6.6025     3.9605    -2.5454	C.3	1	noname	0.0352
21	H1     2.3528     2.4833     0.6774	H	1	noname	0.0346
22	H2     2.6197     1.2293    -0.5574	H	1	noname	0.0346
23	H3     2.1093     4.1881    -1.1067	H	1	noname	0.0276
24	H4     2.3762     2.9342    -2.3414	H	1	noname	0.0276
25	H5    -2.1753    -0.7104    -1.5343	H	1	noname	0.0643
26	H6    -2.8474     4.0486    -0.3294	H	1	noname	0.0662
27	H7     0.3323    -1.1323    -0.3927	H	1	noname	0.0436
28	H8     0.4720    -0.6924    -2.1118	H	1	noname	0.0436
29	H9     1.7759    -0.2699    -0.9762	H	1	noname	0.0436
30	H10     4.3525     3.7286    -0.1551	H	1	noname	0.0372
31	H11     4.6194     2.4746    -1.3898	H	1	noname	0.0372
32	H12    -4.4125     0.3254    -1.7086	H	1	noname	0.0639
33	H13    -5.1323     3.5048    -0.4811	H	1	noname	0.1281
34	H14    -5.0972     2.5545    -3.1763	H	1	noname	0.0444
35	H15    -4.4546     4.1137    -2.6068	H	1	noname	0.0444
36	H16    -7.3546     3.1910    -2.3715	H	1	noname	0.0448
37	H17    -6.7120     4.7502    -1.8020	H	1	noname	0.0448
38	H18     6.1649     5.6731    -2.4093	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	20	1
2	2	19	1
3	2	38	1
4	3	19	2
5	4	7	1
6	4	9	1
7	4	15	1
8	5	7	2
9	5	10	1
10	6	14	1
11	6	18	1
12	6	33	1
13	7	8	1
14	8	11	1
15	8	21	1
16	8	22	1
17	9	10	2
18	9	12	1
19	10	13	1
20	11	16	1
21	11	23	1
22	11	24	1
23	12	17	2
24	12	25	1
25	13	14	2
26	13	26	1
27	14	17	1
28	15	27	1
29	15	28	1
30	15	29	1
31	16	19	1
32	16	30	1
33	16	31	1
34	17	32	1
35	18	20	1
36	18	34	1
37	18	35	1
38	20	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1