@<TRIPOS>MOLECULE
50401249
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.1048    -6.7882    -0.0000	Cl	1	noname	-0.0475
2	C1     3.5563    -5.1928    -0.0000	C.2	1	noname	0.0013
3	N1     4.4766    -4.1603    -0.0000	N.2	1	noname	-0.2306
4	C2     2.1645    -4.9388    -0.0000	C.2	1	noname	0.0266
5	C3     4.1190    -2.8175    -0.0000	C.2	1	noname	-0.0280
6	N2     1.2495    -5.9178    -0.0000	N.3	1	noname	-0.1363
7	C4     1.8135    -3.5531    -0.0000	C.2	1	noname	-0.0380
8	C5     2.7228    -2.4676    -0.0000	C.2	1	noname	0.0007
9	N3     2.3316    -1.1529     0.0000	N.3	1	noname	0.0155
10	C6     1.2826    -0.2141     0.0000	C.2	1	noname	0.0624
11	N4     1.9684     0.9797     0.0000	N.2	1	noname	-0.2485
12	C7    -0.1727    -0.1555     0.0000	C.2	1	noname	0.0100
13	C8     1.3964     2.2214     0.0000	C.2	1	noname	0.0086
14	C9    -1.1670    -1.1797     0.0000	C.2	1	noname	0.0827
15	C10    -0.7488     1.1643    -0.0000	C.2	1	noname	-0.0056
16	C11    -0.0033     2.3534    -0.0000	C.2	1	noname	-0.0421
17	N5    -2.5188    -0.8835    -0.0000	N.2	1	noname	-0.2174
18	N6    -0.8093    -2.4901     0.0000	N.2	1	noname	-0.2388
19	C12    -3.4707    -1.8526    -0.0000	C.2	1	noname	0.0964
20	C13    -1.7526    -3.4778     0.0000	C.2	1	noname	0.0686
21	N7    -3.0706    -3.1400     0.0000	N.2	1	noname	-0.2276
22	N8    -4.7730    -1.5373    -0.0000	N.3	1	noname	-0.0771
23	C14    -1.3509    -4.8814     0.0000	C.3	1	noname	0.0696
24	H1     4.9068    -2.0642    -0.0000	H	1	noname	0.0857
25	H2     0.2657    -5.6895    -0.0000	H	1	noname	0.1243
26	H3     1.5438    -6.8840    -0.0000	H	1	noname	0.1243
27	H4     0.7531    -3.3006    -0.0000	H	1	noname	0.0657
28	H5     3.2085    -0.6517     0.0000	H	1	noname	0.1358
29	H6     2.0482     3.0952    -0.0000	H	1	noname	0.0839
30	H7    -1.8335     1.2717    -0.0000	H	1	noname	0.0631
31	H8    -0.4870     3.3302    -0.0000	H	1	noname	0.0639
32	H9    -5.0580    -0.5683    -0.0000	H	1	noname	0.1273
33	H10    -5.4697    -2.2685    -0.0000	H	1	noname	0.1273
34	H11    -1.2510    -5.2307     1.0277	H	1	noname	0.0312
35	H12    -2.1066    -5.4756    -0.5138	H	1	noname	0.0312
36	H13    -0.3953    -4.9859    -0.5138	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	14	18	1
19	15	16	1
20	17	19	1
21	18	20	2
22	19	21	2
23	19	22	1
24	20	23	1
25	20	21	1
26	5	24	1
27	6	25	1
28	6	26	1
29	7	27	1
30	9	28	1
31	13	29	1
32	15	30	1
33	16	31	1
34	22	32	1
35	22	33	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1