@<TRIPOS>MOLECULE
50380314
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.1361     1.9514    -0.5119	Cl	1	noname	-0.0833
2	C1     2.8057     0.9152    -0.4636	C.2	1	noname	-0.0031
3	C2     1.9631     0.9379     0.6944	C.2	1	noname	-0.0208
4	C3     2.5704     0.0540    -1.5805	C.2	1	noname	-0.0208
5	C4     0.8405     0.0591     0.7223	C.2	1	noname	-0.0272
6	C5     1.4382    -0.8124    -1.5333	C.2	1	noname	-0.0272
7	C6     0.5563    -0.8287    -0.3928	C.2	1	noname	-0.0336
8	C7    -0.6314    -1.6397    -0.4709	C.2	1	noname	0.0522
9	C8    -0.8285    -2.8274    -1.2258	C.2	1	noname	0.0235
10	C9    -1.8483    -1.2345     0.1427	C.2	1	noname	0.0389
11	S1    -2.5469    -3.1079    -1.4020	S.3	1	noname	-0.2067
12	C10     0.0425    -3.8333    -1.6093	C.2	1	noname	0.0210
13	C11    -1.8767    -0.2586     0.9890	C.1	1	noname	0.0755
14	C12    -3.0165    -1.9294    -0.2013	C.2	1	noname	0.0910
15	N1    -0.2549    -4.7574    -2.5302	N.2	1	noname	-0.1565
16	N2     1.1958    -4.1252    -1.0113	N.3	1	noname	-0.0007
17	N3    -1.9020     0.6085     1.7409	N.1	1	noname	-0.1805
18	N4    -4.3014    -1.6482     0.1196	N.3	1	noname	-0.0919
19	N5     0.6970    -5.6262    -2.5131	N.2	1	noname	-0.1668
20	C13     1.6004    -5.2637    -1.5878	C.2	1	noname	-0.0066
21	C14    -5.1311    -2.5914     0.8327	C.3	1	noname	0.0275
22	C15    -4.8703    -0.4639    -0.4806	C.3	1	noname	0.0275
23	C16    -6.5715    -2.7447     0.2303	C.3	1	noname	0.0599
24	C17    -5.9923    -0.8938    -1.4748	C.3	1	noname	0.0599
25	O1    -6.8296    -2.0132    -1.0192	O.3	1	noname	-0.3786
26	H1     2.1703     1.6052     1.5310	H	1	noname	0.0638
27	H2     3.2357     0.0579    -2.4440	H	1	noname	0.0638
28	H3     0.1958     0.0661     1.6011	H	1	noname	0.0629
29	H4     1.2444    -1.4708    -2.3801	H	1	noname	0.0629
30	H5     1.6597    -3.6006    -0.2836	H	1	noname	0.1553
31	H6     2.5142    -5.8058    -1.3442	H	1	noname	0.1033
32	H7    -4.6214    -3.5466     0.7067	H	1	noname	0.0458
33	H8    -5.2377    -2.1575     1.8269	H	1	noname	0.0458
34	H9    -5.3336     0.0862     0.3385	H	1	noname	0.0458
35	H10    -4.0627    -0.0094    -1.0544	H	1	noname	0.0458
36	H11    -6.6833    -3.7924    -0.0486	H	1	noname	0.0579
37	H12    -7.2589    -2.2951     0.9468	H	1	noname	0.0579
38	H13    -6.6818    -0.0531    -1.5524	H	1	noname	0.0579
39	H14    -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	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	2
10	8	10	1
11	9	11	1
12	9	12	1
13	10	13	1
14	10	14	2
15	11	14	1
16	12	15	2
17	12	16	1
18	13	17	3
19	14	18	1
20	15	19	1
21	16	20	1
22	18	21	1
23	18	22	1
24	19	20	2
25	21	23	1
26	22	24	1
27	23	25	1
28	24	25	1
29	3	26	1
30	4	27	1
31	5	28	1
32	6	29	1
33	16	30	1
34	20	31	1
35	21	32	1
36	21	33	1
37	22	34	1
38	22	35	1
39	23	36	1
40	23	37	1
41	24	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1