@<TRIPOS>MOLECULE
50394868
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.6816     1.3506     0.1669	Cl	1	noname	-0.0786
2	C1     2.0014     1.2127     0.1055	C.2	1	noname	0.0040
3	C2     1.1722     2.3487     0.0893	C.2	1	noname	0.0413
4	C3     1.3692    -0.0431     0.0684	C.2	1	noname	0.0269
5	N1    -0.1803     2.1937     0.0394	N.2	1	noname	-0.2376
6	C4    -0.0590    -0.2193     0.0155	C.2	1	noname	0.0213
7	C5    -0.8606     0.9991     0.0012	C.2	1	noname	0.0653
8	C6    -0.4388    -1.6035    -0.0142	C.2	1	noname	0.0828
9	N2    -2.1960     1.4030    -0.0416	N.3	1	noname	0.0130
10	N3    -1.7437    -1.9882    -0.0651	N.2	1	noname	-0.2166
11	N4     0.5177    -2.6095     0.0081	N.2	1	noname	-0.2380
12	C7    -3.5116     1.0448    -0.0925	C.2	1	noname	-0.0101
13	C8    -2.1037    -3.3021    -0.0932	C.2	1	noname	0.0965
14	C9     0.1900    -3.9273    -0.0189	C.2	1	noname	0.0687
15	C10    -4.4874     2.0990    -0.1150	C.2	1	noname	0.0077
16	C11    -4.0135    -0.2821    -0.1259	C.2	1	noname	-0.0265
17	N5    -1.1293    -4.2445    -0.0695	N.2	1	noname	-0.2269
18	N6    -3.3952    -3.6558    -0.1433	N.3	1	noname	-0.0771
19	C12     1.2178    -4.9640     0.0056	C.3	1	noname	0.0696
20	N7    -5.8363     1.7682    -0.1668	N.2	1	noname	-0.2277
21	C13    -5.3918    -0.6244    -0.1789	C.2	1	noname	0.0028
22	C14    -6.2997     0.4666    -0.1985	C.2	1	noname	0.0326
23	O1    -7.6280     0.2306    -0.2485	O.3	1	noname	-0.2487
24	C15    -8.1413     0.1322     1.0718	C.3	1	noname	0.0440
25	H1     1.5816     3.3585     0.1156	H	1	noname	0.0855
26	H2     2.0161    -0.9203     0.0811	H	1	noname	0.0647
27	H3    -2.2223     2.4126    -0.0307	H	1	noname	0.1358
28	H4    -4.2039     3.1512    -0.0926	H	1	noname	0.0857
29	H5    -3.2889    -1.0963    -0.1096	H	1	noname	0.0641
30	H6    -4.1129    -2.9454    -0.1621	H	1	noname	0.1273
31	H7    -3.6509    -4.6327    -0.1621	H	1	noname	0.1273
32	H8     1.4614    -5.2097     1.0392	H	1	noname	0.0312
33	H9     0.8476    -5.8546    -0.5021	H	1	noname	0.0312
34	H10     2.1116    -4.6015    -0.5021	H	1	noname	0.0312
35	H11    -5.7317    -1.6598    -0.2031	H	1	noname	0.0667
36	H12    -8.2468    -0.9181     1.3433	H	1	noname	0.0535
37	H13    -7.4560     0.6197     1.7653	H	1	noname	0.0535
38	H14    -9.1150     0.6197     1.1204	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	2
15	12	15	2
16	12	16	1
17	13	17	2
18	13	18	1
19	14	19	1
20	14	17	1
21	15	20	1
22	16	21	2
23	20	22	2
24	21	22	1
25	22	23	1
26	23	24	1
27	3	25	1
28	4	26	1
29	9	27	1
30	15	28	1
31	16	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	21	35	1
38	24	36	1
39	24	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1