@<TRIPOS>MOLECULE
76967240
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.2464    -2.6809    -1.3531	Cl	1	noname	-0.0594
2	O1    -4.7326    -2.1948    -0.2316	O.2	1	noname	-0.2803
3	N1    -1.4360    -3.0191    -1.2119	N.3	1	noname	0.0059
4	N2    -2.0906    -1.2824    -0.0765	N.2	1	noname	-0.1824
5	N3    -4.0958    -3.9982    -1.4043	N.3	1	noname	-0.0729
6	C1     0.0189     0.0194     0.0802	C.2	1	noname	-0.0366
7	C2    -0.7554    -1.1447    -0.2328	C.2	1	noname	0.0674
8	C3     1.4678     0.0599     0.1145	C.2	1	noname	-0.0296
9	C4    -0.7148     1.2706     0.1675	C.2	1	noname	-0.0296
10	C5    -0.3405    -2.2905    -0.9345	C.2	1	noname	-0.0202
11	C6     1.3931     2.5160     0.1076	C.2	1	noname	-0.0434
12	C7    -2.5012    -2.4063    -0.6880	C.2	1	noname	0.0098
13	C8     2.1654     1.3107     0.1146	C.2	1	noname	-0.0567
14	C9    -0.0378     2.5223     0.1624	C.2	1	noname	-0.0567
15	C10     2.0950     3.7945     0.0417	C.3	1	noname	-0.0004
16	C11    -3.8143    -2.8559    -0.7627	C.2	1	noname	0.0398
17	H1     1.9963    -0.8122     0.1388	H	1	noname	0.0629
18	H2    -1.7324     1.2515     0.2336	H	1	noname	0.0629
19	H3     3.1849     1.3419     0.1195	H	1	noname	0.0625
20	H4    -0.5572     3.3994     0.1968	H	1	noname	0.0625
21	H5    -1.4506    -3.8514    -1.7098	H	1	noname	0.1553
22	H6     1.7853     4.3333    -0.8538	H	1	noname	0.0279
23	H7     1.8536     4.3874     0.9240	H	1	noname	0.0279
24	H8     3.1699     3.6175     0.0058	H	1	noname	0.0279
25	H9    -3.3832    -4.5113    -1.8165	H	1	noname	0.1275
26	H10    -5.0122    -4.3120    -1.4564	H	1	noname	0.1275
@<TRIPOS>BOND
1	1	10	1
2	2	16	2
3	3	10	1
4	3	12	1
5	3	21	1
6	4	7	1
7	4	12	2
8	5	16	1
9	5	25	1
10	5	26	1
11	6	7	1
12	6	8	2
13	6	9	1
14	7	10	2
15	8	13	1
16	8	17	1
17	9	14	2
18	9	18	1
19	11	13	2
20	11	14	1
21	11	15	1
22	12	16	1
23	13	19	1
24	14	20	1
25	15	22	1
26	15	23	1
27	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1