@<TRIPOS>MOLECULE
86278300
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.9566    -8.7078     0.8202	Cl	1	noname	-0.0845
2	O1    -2.0024    -2.0704     0.8450	O.3	1	noname	-0.3398
3	N1    -2.1859    -1.6996    -0.4566	N.3	1	noname	-0.1315
4	N2     0.0519     1.7409     1.4854	N.2	1	noname	-0.2513
5	C1    -0.8933    -1.1097    -0.9199	C.3	1	noname	0.0724
6	C2     0.0567    -2.1493    -0.2575	C.3	1	noname	0.0044
7	C3    -0.7669    -2.7919     0.8940	C.3	1	noname	0.1066
8	C4    -0.6238     0.2595    -0.3210	C.2	1	noname	-0.0102
9	C5    -0.7156    -1.1687    -2.4951	C.3	1	noname	-0.0400
10	C6    -1.0040    -4.2684     0.9015	C.2	1	noname	-0.0373
11	C7    -3.5107    -1.0171    -0.5890	C.3	1	noname	0.0137
12	C8    -1.1027     1.4050    -1.0001	C.2	1	noname	-0.0305
13	C9    -0.0440     0.4981     0.9667	C.2	1	noname	0.0080
14	C10    -1.8711    -4.8244     1.8765	C.2	1	noname	-0.0379
15	C11    -0.4134    -5.1689    -0.0253	C.2	1	noname	-0.0379
16	C12    -0.9856     2.6814    -0.4463	C.2	1	noname	-0.0238
17	C13    -2.1792    -6.2017     1.8687	C.2	1	noname	-0.0235
18	C14    -0.7536    -6.5221    -0.0765	C.2	1	noname	-0.0235
19	C15    -0.3956     2.8275     0.8169	C.2	1	noname	-0.0024
20	C16    -1.6249    -7.0525     0.8796	C.2	1	noname	-0.0120
21	H1     0.4783    -2.8587    -0.9644	H	1	noname	0.0320
22	H2     0.8364    -1.5079     0.1534	H	1	noname	0.0320
23	H3    -0.2875    -2.5277     1.8308	H	1	noname	0.0677
24	H4     0.2417    -0.7254    -2.7696	H	1	noname	0.0253
25	H5    -1.5231    -0.6140    -2.9729	H	1	noname	0.0253
26	H6    -0.7431    -2.2071    -2.8252	H	1	noname	0.0253
27	H7    -3.6634    -0.7184    -1.6261	H	1	noname	0.0419
28	H8    -4.3037    -1.7013    -0.2874	H	1	noname	0.0419
29	H9    -3.5300    -0.1342     0.0500	H	1	noname	0.0419
30	H10    -1.5854     1.3285    -1.9043	H	1	noname	0.0627
31	H11     0.2940    -0.2489     1.5665	H	1	noname	0.0842
32	H12    -2.2932    -4.2257     2.5971	H	1	noname	0.0627
33	H13     0.2875    -4.9054    -0.7042	H	1	noname	0.0627
34	H14    -1.3545     3.4812    -0.9571	H	1	noname	0.0638
35	H15    -2.8053    -6.5802     2.5895	H	1	noname	0.0638
36	H16    -0.3552    -7.1119    -0.8110	H	1	noname	0.0638
37	H17    -0.3110     3.7434     1.2445	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	20	1
2	2	3	1
3	2	7	1
4	3	5	1
5	3	11	1
6	4	13	1
7	4	19	2
8	5	6	1
9	5	8	1
10	5	9	1
11	6	7	1
12	6	21	1
13	6	22	1
14	7	10	1
15	7	23	1
16	8	12	1
17	8	13	2
18	9	24	1
19	9	25	1
20	9	26	1
21	10	14	2
22	10	15	1
23	11	27	1
24	11	28	1
25	11	29	1
26	12	16	2
27	12	30	1
28	13	31	1
29	14	17	1
30	14	32	1
31	15	18	2
32	15	33	1
33	16	19	1
34	16	34	1
35	17	20	2
36	17	35	1
37	18	20	1
38	18	36	1
39	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1