@<TRIPOS>MOLECULE
125345
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.9804    -4.9135     0.0998	Cl	1	noname	-0.0588
2	C1     4.4076    -4.3109     0.0041	C.2	1	noname	0.0458
3	C2     3.2870    -5.1428    -0.2967	C.2	1	noname	0.0603
4	C3     4.1013    -2.9275     0.2188	C.2	1	noname	0.0026
5	O1     3.4835    -6.4607    -0.5137	O.3	1	noname	-0.2410
6	N1     2.0095    -4.6318    -0.3705	N.2	1	noname	-0.2201
7	C4     2.7686    -2.3908     0.1424	C.2	1	noname	-0.0019
8	C5     3.3807    -7.1634     0.7159	C.3	1	noname	0.0440
9	C6     1.7387    -3.3061    -0.1618	C.2	1	noname	0.0069
10	N2     2.5370    -1.0576     0.3577	N.3	1	noname	0.0143
11	C7     1.5932    -0.0400     0.4211	C.2	1	noname	0.0624
12	N3     2.3642     1.0517     0.7237	N.2	1	noname	-0.2486
13	C8     0.1558     0.1669     0.2702	C.2	1	noname	0.0099
14	C9     1.8958     2.3223     0.8963	C.2	1	noname	0.0086
15	C10    -0.9142    -0.7310    -0.0360	C.2	1	noname	0.0827
16	C11    -0.3048     1.5130     0.4577	C.2	1	noname	-0.0056
17	C12     0.5227     2.5987     0.7667	C.2	1	noname	-0.0421
18	N4    -2.2166    -0.2834    -0.1248	N.2	1	noname	-0.2174
19	N5    -0.6995    -2.0510    -0.2511	N.2	1	noname	-0.2388
20	C13    -3.2474    -1.1113    -0.4130	C.2	1	noname	0.0964
21	C14    -1.7079    -2.9158    -0.5432	C.2	1	noname	0.0686
22	N6    -2.9724    -2.4267    -0.6193	N.2	1	noname	-0.2276
23	N7    -4.5024    -0.6483    -0.4928	N.3	1	noname	-0.0771
24	C15    -1.4379    -4.3327    -0.7688	C.3	1	noname	0.0696
25	H1     4.9227    -2.2499     0.4517	H	1	noname	0.0657
26	H2     3.3968    -8.2362     0.5237	H	1	noname	0.0535
27	H3     4.2201    -6.8968     1.3581	H	1	noname	0.0535
28	H4     2.4463    -6.8968     1.2097	H	1	noname	0.0535
29	H5     0.7017    -2.9789    -0.2379	H	1	noname	0.0857
30	H6     3.4433    -0.6560     0.5509	H	1	noname	0.1358
31	H7     2.6115     3.1089     1.1355	H	1	noname	0.0839
32	H8    -1.3687     1.7280     0.3574	H	1	noname	0.0631
33	H9     0.1205     3.6031     0.8989	H	1	noname	0.0639
34	H10    -4.6726     0.3468    -0.5228	H	1	noname	0.1273
35	H11    -5.2781    -1.2945    -0.5228	H	1	noname	0.1273
36	H12    -1.3409    -4.8414     0.1903	H	1	noname	0.0312
37	H13    -2.2598    -4.7740    -1.3326	H	1	noname	0.0312
38	H14    -0.5113    -4.4407    -1.3326	H	1	noname	0.0312
@<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	5	8	1
8	6	9	2
9	7	10	1
10	7	9	1
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	2
17	14	17	2
18	15	18	2
19	15	19	1
20	16	17	1
21	18	20	1
22	19	21	2
23	20	22	2
24	20	23	1
25	21	24	1
26	21	22	1
27	4	25	1
28	8	26	1
29	8	27	1
30	8	28	1
31	9	29	1
32	10	30	1
33	14	31	1
34	16	32	1
35	17	33	1
36	23	34	1
37	23	35	1
38	24	36	1
39	24	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1