@<TRIPOS>MOLECULE
121000373
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.2774     1.7036    -1.0528	Cl	1	noname	-0.0685
2	O1     2.0134     4.0611     0.3147	O.3	1	noname	-0.2760
3	O2    -0.5533     4.0653    -0.6326	O.3	1	noname	-0.2690
4	O3     7.5498     0.6953     0.0074	O.3	1	noname	-0.2865
5	N1     0.5851    -2.6676     0.1272	N.3	1	noname	-0.3154
6	C1     2.1821    -0.7142     0.6776	C.3	1	noname	0.0439
7	C2     1.3221     0.4485     0.3548	C.2	1	noname	-0.0496
8	C3     1.8698    -1.9688    -0.1676	C.3	1	noname	0.0062
9	C4    -0.0654     0.4498    -0.1168	C.2	1	noname	-0.0252
10	C5    -0.9998    -0.6803    -0.3284	C.3	1	noname	0.0229
11	C6    -0.6622    -1.9475     0.4948	C.3	1	noname	-0.0007
12	C7     3.5841    -0.3461     0.5025	C.2	1	noname	-0.0640
13	C8     2.0261     1.6812     0.5205	C.2	1	noname	-0.0202
14	C9    -0.6958     1.6838    -0.4662	C.2	1	noname	0.0161
15	C10     1.3607     2.8875     0.1752	C.2	1	noname	0.0227
16	C11     4.4609    -0.4172     1.5787	C.2	1	noname	-0.0473
17	C12     4.0419     0.0755    -0.7403	C.2	1	noname	-0.0473
18	C13     0.0319     2.8920    -0.3110	C.2	1	noname	0.0468
19	C14     5.7956    -0.0667     1.4121	C.2	1	noname	-0.0317
20	C15     5.3767     0.4260    -0.9070	C.2	1	noname	-0.0317
21	C16     6.2535     0.3549     0.1692	C.2	1	noname	-0.0038
22	H1     1.9370    -1.0033     1.6996	H	1	noname	0.0415
23	H2     1.9095    -1.7127    -1.2263	H	1	noname	0.0437
24	H3     2.6494    -2.7088     0.0134	H	1	noname	0.0437
25	H4    -2.0161    -0.3591    -0.1004	H	1	noname	0.0329
26	H5    -0.9832    -0.8944    -1.3970	H	1	noname	0.0329
27	H6    -1.5045    -2.6385     0.4598	H	1	noname	0.0431
28	H7    -0.5706    -1.6054     1.5256	H	1	noname	0.0431
29	H8     0.3842    -3.3392    -0.6164	H	1	noname	0.1222
30	H9     2.9815     1.6942     0.8773	H	1	noname	0.0654
31	H10     4.1249    -0.7266     2.4908	H	1	noname	0.0626
32	H11     3.3985     0.1277    -1.5301	H	1	noname	0.0626
33	H12     6.4390    -0.1189     2.2018	H	1	noname	0.0650
34	H13     5.7127     0.7354    -1.8190	H	1	noname	0.0650
35	H14     2.9157     3.8941     0.6587	H	1	noname	0.2183
36	H15     0.0754     4.7993    -0.4701	H	1	noname	0.2183
37	H16     8.0243     0.5886     0.8582	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	14	1
2	2	15	1
3	2	35	1
4	3	18	1
5	3	36	1
6	4	21	1
7	4	37	1
8	5	8	1
9	5	11	1
10	5	29	1
11	6	7	1
12	6	8	1
13	6	12	1
14	6	22	1
15	7	9	1
16	7	13	2
17	8	23	1
18	8	24	1
19	9	10	1
20	9	14	2
21	10	11	1
22	10	25	1
23	10	26	1
24	11	27	1
25	11	28	1
26	12	16	2
27	12	17	1
28	13	15	1
29	13	30	1
30	14	18	1
31	15	18	2
32	16	19	1
33	16	31	1
34	17	20	2
35	17	32	1
36	19	21	2
37	19	33	1
38	20	21	1
39	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1