@<TRIPOS>MOLECULE
76971457
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.3984    -5.2496    -2.7424	Cl	1	noname	-0.0894
2	N1     0.9891    -0.1356    -1.1176	N.3	1	noname	0.0220
3	N2     1.7778    -1.6270     1.4267	N.2	1	noname	-0.2539
4	N3     1.9609     1.5645    -0.0912	N.2	1	noname	-0.1559
5	N4     1.3475     2.0571    -1.1074	N.2	1	noname	-0.1635
6	C1     0.5954    -1.4732    -1.3649	C.2	1	noname	0.0071
7	C2     0.5212    -2.5657    -0.3929	C.2	1	noname	-0.0110
8	C3     1.7889     0.2399    -0.1024	C.2	1	noname	0.0133
9	C4     0.9430    -2.5164     0.9821	C.2	1	noname	0.0024
10	C5     2.5287    -0.6476     0.7940	C.3	1	noname	0.0981
11	C6     0.7535     1.0636    -1.7735	C.2	1	noname	0.0264
12	C7     0.2420    -1.7261    -2.7116	C.2	1	noname	-0.0320
13	C8     0.5377    -3.4006     2.0188	C.2	1	noname	-0.0300
14	C9    -0.0732    -3.7715    -0.8815	C.2	1	noname	-0.0014
15	C10    -0.3728    -2.8922    -3.1233	C.2	1	noname	-0.0185
16	C11    -0.5549    -3.9065    -2.1960	C.2	1	noname	-0.0271
17	C12    -0.2264    -2.8448     3.1121	C.2	1	noname	-0.0353
18	C13     0.8309    -4.8100     2.0552	C.2	1	noname	-0.0353
19	C14     0.0185     1.4902    -2.9904	C.2	1	noname	-0.0050
20	C15    -0.6976    -3.6810     4.1853	C.2	1	noname	-0.0534
21	C16     0.3403    -5.6663     3.0885	C.2	1	noname	-0.0534
22	C17    -0.4306    -5.0846     4.1415	C.2	1	noname	-0.0530
23	C18    -0.0006     2.7732    -3.3403	C.2	1	noname	-0.0604
24	H1     3.0544    -0.0533     1.5413	H	1	noname	0.0597
25	H2     3.2066    -1.2115     0.1531	H	1	noname	0.0597
26	H3     0.4011    -1.0756    -3.4633	H	1	noname	0.0643
27	H4    -0.1853    -4.5762    -0.2858	H	1	noname	0.0645
28	H5    -0.6858    -3.0047    -4.0876	H	1	noname	0.0638
29	H6    -0.4348    -1.8464     3.1238	H	1	noname	0.0629
30	H7     1.4093    -5.2113     1.3171	H	1	noname	0.0629
31	H8    -0.4575     0.8196    -3.5417	H	1	noname	0.0653
32	H9    -1.2150    -3.2773     4.9662	H	1	noname	0.0622
33	H10     0.5354    -6.6673     3.0747	H	1	noname	0.0622
34	H11    -0.7990    -5.6850     4.8792	H	1	noname	0.0622
35	H12    -0.4908     3.0577    -4.1520	H	1	noname	0.0539
36	H13     0.4754     3.4437    -2.7891	H	1	noname	0.0539
@<TRIPOS>BOND
1	1	16	1
2	2	6	1
3	2	8	1
4	2	11	1
5	3	9	2
6	3	10	1
7	4	5	1
8	4	8	2
9	5	11	2
10	6	7	2
11	6	12	1
12	7	9	1
13	7	14	1
14	8	10	1
15	9	13	1
16	10	24	1
17	10	25	1
18	11	19	1
19	12	15	2
20	12	26	1
21	13	17	2
22	13	18	1
23	14	16	2
24	14	27	1
25	15	16	1
26	15	28	1
27	17	20	1
28	17	29	1
29	18	21	2
30	18	30	1
31	19	23	2
32	19	31	1
33	20	22	2
34	20	32	1
35	21	22	1
36	21	33	1
37	22	34	1
38	23	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1