@<TRIPOS>MOLECULE
264218-23-7
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1228     6.5062     4.7592	O.3	1	noname	-0.2821
2	C1    -3.7446     5.6734     3.7532	C.2	1	noname	0.0040
3	C2    -3.0715     6.2358     2.6526	C.2	1	noname	-0.0243
4	C3    -2.6348     5.4215     1.5929	C.2	1	noname	-0.0467
5	C4    -2.8644     4.0308     1.6148	C.2	1	noname	-0.0343
6	N1    -2.3292     3.2898     0.6051	N.3	1	noname	-0.0090
7	C5    -2.8025     2.1754     0.0416	C.2	1	noname	0.0242
8	C6    -2.0386     1.1796    -0.4323	C.2	1	noname	0.0774
9	C7    -2.8834     0.2380    -0.9691	C.2	1	noname	0.0766
10	O2    -2.5620    -0.8342    -1.5289	O.2	1	noname	-0.2847
11	N2    -4.1419     0.6601    -0.8066	N.3	1	noname	0.0820
12	C8    -4.1122     1.8448    -0.1916	C.2	1	noname	0.0671
13	O3    -5.1251     2.5268     0.0826	O.2	1	noname	-0.2824
14	C9    -0.6473     1.0984    -0.3531	C.2	1	noname	0.0506
15	C10     0.1204     2.1234    -0.9638	C.2	1	noname	-0.0032
16	C11     1.5218     2.1236    -0.8873	C.2	1	noname	-0.0170
17	C12     2.1811     1.0997    -0.1945	C.2	1	noname	-0.0174
18	C13     1.4388     0.0650     0.4003	C.2	1	noname	0.0343
19	C14     0.0212     0.0334     0.3295	C.2	1	noname	0.0576
20	N3    -0.6210    -0.9877     0.9219	N.2	1	noname	0.1673
21	O4    -0.1749    -2.1775     0.8438	O.3	1	noname	-0.2528
22	O5    -1.6007    -0.8455     1.5439	O.2	1	noname	-0.2528
23	C15    -3.5583     3.4692     2.7106	C.2	1	noname	-0.0175
24	C16    -3.9922     4.2814     3.7795	C.2	1	noname	0.0109
25	Cl1    -4.7893     3.5544     5.0859	Cl	1	noname	-0.0703
26	H1    -4.4068     5.9867     5.5149	H	1	noname	0.2182
27	H2    -2.8872     7.3096     2.6206	H	1	noname	0.0651
28	H3    -2.1141     5.8720     0.7479	H	1	noname	0.0640
29	H4    -1.4544     3.6139     0.2180	H	1	noname	0.1343
30	H5    -4.9738     0.1675    -1.0989	H	1	noname	0.1407
31	H6    -0.3776     2.9286    -1.5039	H	1	noname	0.0630
32	H7     2.0968     2.9170    -1.3648	H	1	noname	0.0622
33	H8     3.2684     1.1081    -0.1184	H	1	noname	0.0624
34	H9     1.9721    -0.7271     0.9259	H	1	noname	0.0673
35	H10    -3.7611     2.3985     2.7315	H	1	noname	0.0655
@<TRIPOS>BOND
1	1	2	1
2	2	3	ar
3	3	4	ar
4	4	5	ar
5	5	6	1
6	6	7	1
7	7	8	2
8	8	9	1
9	9	10	2
10	9	11	1
11	11	12	1
12	7	12	1
13	12	13	2
14	8	14	1
15	14	15	ar
16	15	16	ar
17	16	17	ar
18	17	18	ar
19	18	19	ar
20	14	19	ar
21	19	20	1
22	20	21	1
23	20	22	2
24	5	23	ar
25	23	24	ar
26	2	24	ar
27	24	25	1
28	1	26	1
29	3	27	1
30	4	28	1
31	6	29	1
32	11	30	1
33	15	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1