@<TRIPOS>MOLECULE
70550147
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.4137     5.5411     0.9199	Cl	1	noname	-0.0833
2	O1    -2.6440    -2.9267    -1.8560	O.3	1	noname	-0.2133
3	O2    -4.2587    -1.0624     2.3043	O.3	1	noname	-0.2133
4	O3    -2.8718    -4.0156     0.1023	O.2	1	noname	-0.2487
5	O4    -3.5912    -3.1850     1.9559	O.2	1	noname	-0.2487
6	N1     1.2086    -0.0674    -0.0802	N.3	1	noname	-0.0647
7	C1    -3.4851    -1.7479     0.1005	C.3	1	noname	0.1632
8	C2    -2.4732    -0.6983     0.0229	C.2	1	noname	-0.0330
9	C3    -0.1428     0.0016    -0.0733	C.2	1	noname	-0.0807
10	C4    -0.5672     1.3595    -0.0751	C.2	1	noname	-0.0236
11	C5     0.5875     2.1135     0.0610	C.2	1	noname	-0.0170
12	C6    -1.0912    -1.0645    -0.0027	C.2	1	noname	-0.0312
13	C7     1.6731     1.1976    -0.0072	C.2	1	noname	-0.0804
14	C8    -2.8913     0.6710    -0.0256	C.2	1	noname	-0.0414
15	C9    -1.9453     1.7388    -0.0849	C.2	1	noname	-0.0341
16	C10    -4.7602    -1.2801    -0.6040	C.3	1	noname	-0.0364
17	C11    -3.7807    -2.0363     1.5009	C.2	1	noname	0.1453
18	C12    -2.9847    -2.9553    -0.5500	C.2	1	noname	0.1453
19	C13     0.7678     3.4971     0.3577	C.2	1	noname	-0.0036
20	C14     3.0193     1.6325     0.1582	C.2	1	noname	-0.0326
21	C15     2.1101     3.9208     0.5616	C.2	1	noname	-0.0043
22	C16     3.2063     3.0131     0.4714	C.2	1	noname	-0.0168
23	H1    -0.7965    -2.0405     0.0280	H	1	noname	0.0645
24	H2     1.7436    -0.8751    -0.1286	H	1	noname	0.1528
25	H3    -3.8879     0.8882    -0.0175	H	1	noname	0.0626
26	H4    -2.2360     2.7154    -0.1316	H	1	noname	0.0629
27	H5    -5.5156    -2.0637    -0.5461	H	1	noname	0.0250
28	H6    -5.1338    -0.3786    -0.1184	H	1	noname	0.0250
29	H7    -4.5395    -1.0647    -1.6495	H	1	noname	0.0250
30	H8    -0.0187     4.1436     0.4199	H	1	noname	0.0645
31	H9     3.8072     0.9925     0.0582	H	1	noname	0.0643
32	H10     4.1513     3.3601     0.6354	H	1	noname	0.0638
33	H11    -4.0571    -1.0754     3.2633	H	1	noname	0.2213
34	H12    -1.9398    -3.5199    -2.1918	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	21	1
2	2	18	1
3	2	34	1
4	3	17	1
5	3	33	1
6	4	18	2
7	5	17	2
8	6	9	1
9	6	13	1
10	6	24	1
11	7	8	1
12	7	16	1
13	7	17	1
14	7	18	1
15	8	12	2
16	8	14	1
17	9	10	2
18	9	12	1
19	10	11	1
20	10	15	1
21	11	13	2
22	11	19	1
23	12	23	1
24	13	20	1
25	14	15	2
26	14	25	1
27	15	26	1
28	16	27	1
29	16	28	1
30	16	29	1
31	19	21	2
32	19	30	1
33	20	22	2
34	20	31	1
35	21	22	1
36	22	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1