@<TRIPOS>MOLECULE
91800239
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -3.3334     4.9671    -2.1206	Cl	1	noname	-0.0734
2	S1     2.0295     1.4483    -1.8574	S	1	noname	0.0431
3	O1     2.1741     0.2185    -2.8739	O.2	1	noname	-0.1366
4	O2     3.2198     1.4752    -0.7813	O.2	1	noname	-0.1366
5	N1    -2.4416     2.3965    -1.2847	N.3	1	noname	-0.0032
6	N2    -3.5720     0.3367    -1.2402	N.3	1	noname	-0.1180
7	N3    -2.2639     0.7393    -2.8951	N.2	1	noname	-0.2564
8	N4     0.4544     1.5696    -1.2635	N.2	1	noname	-0.0531
9	N5     2.0598     2.8748    -2.7397	N.2	1	noname	-0.0601
10	C1    -1.4045     3.1287    -1.7423	C.2	1	noname	0.0025
11	C2    -0.0540     2.6502    -1.8247	C.2	1	noname	0.1014
12	C3    -3.5780    -0.8735    -1.9713	C.3	1	noname	0.0221
13	C4    -2.7371     1.1941    -1.7937	C.2	1	noname	-0.1097
14	C5    -2.7944    -0.4736    -3.2273	C.3	1	noname	0.0548
15	C6     0.8707     3.3947    -2.6136	C.2	1	noname	0.0958
16	C7    -1.7632     4.3812    -2.3131	C.2	1	noname	0.0149
17	C8     0.4937     4.6306    -3.2052	C.2	1	noname	0.0200
18	C9    -0.8182     5.1396    -3.0396	C.2	1	noname	0.0003
19	H1    -4.6018    -1.1264    -2.2470	H	1	noname	0.0452
20	H2    -3.0393    -1.6462    -1.4229	H	1	noname	0.0452
21	H3    -3.4842    -0.3520    -4.0625	H	1	noname	0.0528
22	H4    -2.0414    -1.2072    -3.5154	H	1	noname	0.0528
23	H5    -3.2413     2.9451    -1.2659	H	1	noname	0.1368
24	H6    -3.2968     0.1613    -0.3267	H	1	noname	0.1307
25	H7     1.1739     5.1561    -3.7543	H	1	noname	0.0647
26	H8    -1.0768     6.0416    -3.4394	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	16	1
2	2	3	2
3	2	4	2
4	2	8	1
5	2	9	1
6	5	10	1
7	5	13	1
8	5	23	1
9	6	12	1
10	6	13	1
11	6	24	1
12	7	13	2
13	7	14	1
14	8	11	2
15	9	15	2
16	10	11	1
17	10	16	2
18	11	15	1
19	12	14	1
20	12	19	1
21	12	20	1
22	14	21	1
23	14	22	1
24	15	17	1
25	16	18	1
26	17	18	2
27	17	25	1
28	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1