@<TRIPOS>MOLECULE
125358
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.5400    -0.5691    -1.3714	Cl	1	noname	-0.0794
2	C1     1.9656    -0.0871    -1.0041	C.2	1	noname	-0.0036
3	C2     1.6788     1.2566    -0.6867	C.2	1	noname	0.0402
4	C3     0.9038    -1.0220    -1.0077	C.2	1	noname	0.0256
5	N1     0.3891     1.6084    -0.4009	N.2	1	noname	-0.2467
6	C4    -0.4588    -0.6760    -0.7243	C.2	1	noname	0.0125
7	C5    -0.6731     0.7380    -0.4132	C.2	1	noname	0.0627
8	C6    -1.4371    -1.7540    -0.8119	C.2	1	noname	0.0828
9	N2    -1.7652     1.4984    -0.1224	N.3	1	noname	-0.0985
10	N3    -2.7652    -1.4684    -0.6337	N.2	1	noname	-0.2170
11	N4    -1.1146    -3.0822    -1.0446	N.2	1	noname	-0.2384
12	C7    -3.1038     1.2300     0.1744	C.3	1	noname	0.0171
13	C8    -3.7310    -2.4269    -0.5922	C.2	1	noname	0.0965
14	C9    -2.0657    -4.0687    -1.0348	C.2	1	noname	0.0687
15	C10    -3.8975     2.5584     0.2382	C.3	1	noname	-0.0136
16	C11    -3.1127     0.3447     1.4522	C.3	1	noname	-0.0136
17	N5    -3.3635    -3.7252    -0.7820	N.2	1	noname	-0.2273
18	N6    -5.0118    -2.1015    -0.3702	N.3	1	noname	-0.0771
19	C12    -1.6995    -5.4589    -1.2895	C.3	1	noname	0.0696
20	C13    -4.9702     2.6020     1.3786	C.3	1	noname	0.0482
21	C14    -3.4636     1.0878     2.7580	C.3	1	noname	0.0482
22	O1    -4.6427     1.9412     2.6497	O.3	1	noname	-0.3811
23	H1     2.4537     2.0228    -0.6622	H	1	noname	0.0855
24	H2     1.1472    -2.0588    -1.2401	H	1	noname	0.0647
25	H3    -1.5300     2.4806    -0.1282	H	1	noname	0.1299
26	H4    -3.5294     0.6651    -0.6550	H	1	noname	0.0470
27	H5    -3.1645     3.3266     0.4845	H	1	noname	0.0306
28	H6    -4.4516     2.6143    -0.6988	H	1	noname	0.0306
29	H7    -3.9151    -0.3782     1.3052	H	1	noname	0.0306
30	H8    -2.0863     0.0011     1.5808	H	1	noname	0.0306
31	H9    -5.2792    -1.1311    -0.2866	H	1	noname	0.1273
32	H10    -5.7099    -2.8267    -0.2866	H	1	noname	0.1273
33	H11    -1.5626    -5.9781    -0.3409	H	1	noname	0.0312
34	H12    -2.4917    -5.9449    -1.8588	H	1	noname	0.0312
35	H13    -0.7705    -5.4914    -1.8588	H	1	noname	0.0312
36	H14    -5.0806     3.6506     1.6550	H	1	noname	0.0566
37	H15    -5.8301     2.0417     1.0116	H	1	noname	0.0566
38	H16    -3.7360     0.3288     3.4913	H	1	noname	0.0566
39	H17    -2.6417     1.7737     2.9631	H	1	noname	0.0566
@<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	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	2
15	12	15	1
16	12	16	1
17	13	17	2
18	13	18	1
19	14	19	1
20	14	17	1
21	15	20	1
22	16	21	1
23	20	22	1
24	21	22	1
25	3	23	1
26	4	24	1
27	9	25	1
28	12	26	1
29	15	27	1
30	15	28	1
31	16	29	1
32	16	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	19	34	1
37	19	35	1
38	20	36	1
39	20	37	1
40	21	38	1
41	21	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1