@<TRIPOS>MOLECULE
119057406
39 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.8774    -1.7452    -4.8108	Cl	1	noname	-0.0846
2	N1    -0.1360     1.1987    -1.3358	N.3	1	noname	-0.2811
3	C1     0.9364     2.0072    -0.7047	C.3	1	noname	0.0563
4	C2    -0.4789     1.9844    -0.1250	C.3	1	noname	0.0563
5	C3    -0.7140     1.1680     1.1131	C.2	1	noname	-0.0320
6	C4     1.9892     1.2053    -0.0063	C.2	1	noname	-0.0320
7	C5    -0.6230     1.7561    -2.6267	C.3	1	noname	0.0248
8	C6     0.3374     0.3653     1.7146	C.2	1	noname	-0.0304
9	C7     1.6906     0.3849     1.1579	C.2	1	noname	-0.0304
10	C8    -2.0370     1.1954     1.6753	C.2	1	noname	-0.0471
11	C9     3.3150     1.2832    -0.5427	C.2	1	noname	-0.0471
12	C10    -1.6710     0.8936    -3.1647	C.2	1	noname	-0.0445
13	C11     2.7766    -0.3621     1.7532	C.2	1	noname	-0.0445
14	C12     0.0059    -0.4152     2.8815	C.2	1	noname	-0.0445
15	C13     4.3519     0.5305     0.0840	C.2	1	noname	-0.0576
16	C14    -2.3017     0.4062     2.8325	C.2	1	noname	-0.0576
17	C15     4.0901    -0.2869     1.2232	C.2	1	noname	-0.0567
18	C16    -1.2976    -0.3937     3.4327	C.2	1	noname	-0.0567
19	C17    -2.9453     1.4031    -3.3852	C.2	1	noname	-0.0426
20	C18    -1.3944    -0.4370    -3.4564	C.2	1	noname	-0.0426
21	C19    -3.9431     0.5820    -3.8974	C.2	1	noname	-0.0248
22	C20    -2.3922    -1.2581    -3.9686	C.2	1	noname	-0.0248
23	C21    -3.6665    -0.7486    -4.1891	C.2	1	noname	-0.0123
24	H1     1.2160     2.9737    -1.1631	H	1	noname	0.0538
25	H2    -1.0248     2.9408    -0.2520	H	1	noname	0.0538
26	H3    -1.0242     2.7561    -2.4624	H	1	noname	0.0481
27	H4     0.2039     1.8082    -3.3349	H	1	noname	0.0481
28	H5     3.5136     1.8652    -1.3564	H	1	noname	0.0626
29	H6    -2.7701     1.7669     1.2554	H	1	noname	0.0626
30	H7     2.5953    -0.9515     2.5658	H	1	noname	0.0629
31	H8     0.7243    -0.9933     3.3175	H	1	noname	0.0629
32	H9     5.2997     0.5778    -0.2899	H	1	noname	0.0622
33	H10    -3.2372     0.4175     3.2386	H	1	noname	0.0622
34	H11     4.8465    -0.8168     1.6561	H	1	noname	0.0622
35	H12    -1.5134    -0.9518     4.2588	H	1	noname	0.0622
36	H13    -3.1483     2.3795    -3.1711	H	1	noname	0.0626
37	H14    -0.4593    -0.8109    -3.2947	H	1	noname	0.0626
38	H15    -4.8782     0.9558    -4.0592	H	1	noname	0.0638
39	H16    -2.1892    -2.2345    -4.1827	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	23	1
2	2	3	1
3	2	4	1
4	2	7	1
5	3	4	1
6	3	6	1
7	3	24	1
8	4	5	1
9	4	25	1
10	5	8	1
11	5	10	2
12	6	9	1
13	6	11	2
14	7	12	1
15	7	26	1
16	7	27	1
17	8	9	1
18	8	14	2
19	9	13	2
20	10	16	1
21	10	29	1
22	11	15	1
23	11	28	1
24	12	19	2
25	12	20	1
26	13	17	1
27	13	30	1
28	14	18	1
29	14	31	1
30	15	17	2
31	15	32	1
32	16	18	2
33	16	33	1
34	17	34	1
35	18	35	1
36	19	21	1
37	19	36	1
38	20	22	2
39	20	37	1
40	21	23	2
41	21	38	1
42	22	23	1
43	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1