@<TRIPOS>MOLECULE
50380320
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.1736     0.0499     2.0705	Cl	1	noname	-0.0766
2	C1     0.8405     0.0591     0.7223	C.2	1	noname	0.0174
3	C2     0.5563    -0.8287    -0.3928	C.2	1	noname	-0.0024
4	C3     1.9631     0.9379     0.6944	C.2	1	noname	0.0105
5	C4    -0.6314    -1.6397    -0.4709	C.2	1	noname	0.0532
6	C5     1.4382    -0.8124    -1.5333	C.2	1	noname	-0.0202
7	C6     2.8057     0.9152    -0.4636	C.2	1	noname	0.0041
8	C7    -0.8285    -2.8274    -1.2258	C.2	1	noname	0.0289
9	C8    -1.8483    -1.2345     0.1427	C.2	1	noname	0.0394
10	C9     2.5704     0.0540    -1.5805	C.2	1	noname	-0.0196
11	Cl2     4.1361     1.9514    -0.5119	Cl	1	noname	-0.0818
12	S1    -2.5469    -3.1079    -1.4020	S.3	1	noname	-0.2012
13	C10     0.0425    -3.8333    -1.6093	C.2	1	noname	0.0211
14	C11    -1.8767    -0.2586     0.9890	C.1	1	noname	0.0756
15	C12    -3.0165    -1.9294    -0.2013	C.2	1	noname	0.0914
16	N1    -0.2549    -4.7574    -2.5302	N.2	1	noname	-0.1563
17	N2     1.1958    -4.1252    -1.0113	N.3	1	noname	-0.0003
18	N3    -1.9020     0.6085     1.7409	N.1	1	noname	-0.1805
19	N4    -4.3014    -1.6482     0.1196	N.3	1	noname	-0.0919
20	N5     0.6970    -5.6262    -2.5131	N.2	1	noname	-0.1668
21	C13     1.6004    -5.2637    -1.5878	C.2	1	noname	-0.0063
22	C14    -5.1311    -2.5914     0.8327	C.3	1	noname	0.0275
23	C15    -4.8703    -0.4639    -0.4806	C.3	1	noname	0.0275
24	C16    -6.5715    -2.7447     0.2303	C.3	1	noname	0.0599
25	C17    -5.9923    -0.8938    -1.4748	C.3	1	noname	0.0599
26	O1    -6.8296    -2.0132    -1.0192	O.3	1	noname	-0.3786
27	H1     2.1703     1.6052     1.5310	H	1	noname	0.0654
28	H2     1.2444    -1.4708    -2.3801	H	1	noname	0.0630
29	H3     3.2357     0.0579    -2.4440	H	1	noname	0.0638
30	H4     1.6597    -3.6006    -0.2836	H	1	noname	0.1553
31	H5     2.5142    -5.8058    -1.3442	H	1	noname	0.1033
32	H6    -4.6214    -3.5466     0.7067	H	1	noname	0.0458
33	H7    -5.2377    -2.1575     1.8269	H	1	noname	0.0458
34	H8    -5.3336     0.0862     0.3385	H	1	noname	0.0458
35	H9    -4.0627    -0.0094    -1.0544	H	1	noname	0.0458
36	H10    -6.6833    -3.7924    -0.0486	H	1	noname	0.0579
37	H11    -7.2589    -2.2951     0.9468	H	1	noname	0.0579
38	H12    -6.6818    -0.0531    -1.5524	H	1	noname	0.0579
39	H13    -5.4932    -1.2734    -2.3664	H	1	noname	0.0579
@<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	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	8	13	1
14	9	14	1
15	9	15	2
16	12	15	1
17	13	16	2
18	13	17	1
19	14	18	3
20	15	19	1
21	16	20	1
22	17	21	1
23	19	22	1
24	19	23	1
25	20	21	2
26	22	24	1
27	23	25	1
28	24	26	1
29	25	26	1
30	4	27	1
31	6	28	1
32	10	29	1
33	17	30	1
34	21	31	1
35	22	32	1
36	22	33	1
37	23	34	1
38	23	35	1
39	24	36	1
40	24	37	1
41	25	38	1
42	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1