@<TRIPOS>MOLECULE
69870430
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.0991     3.8662    -0.1670	Cl	1	noname	-0.0700
2	O1    -0.1714    -2.0560     0.2384	O.3	1	noname	-0.3870
3	O2     1.7784     3.8383     0.3468	O.3	1	noname	-0.2753
4	O3     3.8393     0.8382     1.4273	O.3	1	noname	-0.3914
5	N1    -2.4609    -2.3421    -1.4129	N.3	1	noname	-0.3091
6	C1    -3.8972    -2.2073    -1.6499	C.3	1	noname	0.0099
7	C2    -1.8936    -1.0315    -1.0995	C.3	1	noname	0.0260
8	C3    -0.3905    -1.1725    -0.8515	C.3	1	noname	0.0916
9	C4    -4.4909    -3.5788    -1.9779	C.3	1	noname	-0.0474
10	C5    -4.5707    -1.6468    -0.3957	C.3	1	noname	-0.0474
11	C6    -4.1333    -1.2554    -2.8243	C.3	1	noname	-0.0474
12	C7     0.1760     0.1362    -0.5385	C.2	1	noname	-0.0418
13	C8     1.5349     0.2600    -0.2738	C.2	1	noname	-0.0260
14	C9    -0.6436     1.2583    -0.5053	C.2	1	noname	-0.0070
15	C10     2.0742     1.5060     0.0242	C.2	1	noname	-0.0029
16	C11     1.2546     2.6282     0.0574	C.2	1	noname	0.0407
17	C12    -0.1043     2.5043    -0.2074	C.2	1	noname	0.0188
18	C13     3.5016     1.6361     0.3023	C.3	1	noname	0.0709
19	H1    -2.3735    -0.6322    -0.2060	H	1	noname	0.0458
20	H2    -2.0618    -0.3534    -1.9361	H	1	noname	0.0458
21	H3    -2.0110    -2.7165    -2.2507	H	1	noname	0.1228
22	H4     0.0893    -1.5719    -1.7450	H	1	noname	0.0665
23	H5    -5.5617    -3.4784    -2.1546	H	1	noname	0.0249
24	H6    -5.2042    -1.1550    -3.0010	H	1	noname	0.0249
25	H7    -3.7104    -0.2784    -2.5906	H	1	noname	0.0249
26	H8    -3.6535    -1.6547    -3.7178	H	1	noname	0.0249
27	H9    -5.6416    -1.5464    -0.5724	H	1	noname	0.0249
28	H10    -4.4026    -2.3250     0.4409	H	1	noname	0.0249
29	H11    -4.1478    -0.6698    -0.1621	H	1	noname	0.0249
30	H12    -4.3227    -4.2570    -1.1413	H	1	noname	0.0249
31	H13    -4.0110    -3.9782    -2.8714	H	1	noname	0.0249
32	H14     2.1364    -0.5634    -0.2982	H	1	noname	0.0631
33	H15    -1.6408     1.1675    -0.6996	H	1	noname	0.0643
34	H16    -0.6028    -1.6970     1.0418	H	1	noname	0.2109
35	H17     3.7371     2.6793     0.5128	H	1	noname	0.0615
36	H18     4.0724     1.3025    -0.5643	H	1	noname	0.0615
37	H19     1.1002     4.3905     0.7889	H	1	noname	0.2182
38	H20     4.7973     0.9255     1.6140	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	17	1
2	2	8	1
3	2	34	1
4	3	16	1
5	3	37	1
6	4	18	1
7	4	38	1
8	5	6	1
9	5	7	1
10	5	21	1
11	6	9	1
12	6	10	1
13	6	11	1
14	7	8	1
15	7	19	1
16	7	20	1
17	8	12	1
18	8	22	1
19	9	23	1
20	9	30	1
21	9	31	1
22	10	27	1
23	10	28	1
24	10	29	1
25	11	24	1
26	11	25	1
27	11	26	1
28	12	13	2
29	12	14	1
30	13	15	1
31	13	32	1
32	14	17	2
33	14	33	1
34	15	16	2
35	15	18	1
36	16	17	1
37	18	35	1
38	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1