@<TRIPOS>MOLECULE
76970394
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.7634    -0.2854    -2.0457	Cl	1	noname	-0.1160
2	O1    -1.6534    -0.8471    -2.0457	O.3	1	noname	-0.0926
3	O2    -3.5342    -1.7625    -2.8806	O.2	1	noname	-0.2386
4	N1    -0.5474    -0.2694    -2.2538	N.2	1	noname	-0.1593
5	N2    -2.0945     2.4718    -0.2058	N.1	1	noname	-0.1951
6	N3    -2.0519    -0.9217    -4.3397	N.3	1	noname	-0.0276
7	C1     1.8762     0.8674     0.2328	C.3	1	noname	-0.0175
8	C2    -0.0453    -0.1537     0.2500	C.3	1	noname	0.0173
9	C3     1.3572    -0.4618     0.7499	C.3	1	noname	-0.0391
10	C4    -0.3645     1.1440     1.0369	C.3	1	noname	0.0548
11	C5     0.9931     1.8940     0.9929	C.3	1	noname	-0.0320
12	C6     1.5761     0.7626    -1.2848	C.3	1	noname	0.0773
13	C7     0.1968     0.0560    -1.2710	C.2	1	noname	0.0851
14	C8    -1.3033     1.8645     0.3625	C.1	1	noname	0.0635
15	C9    -2.4414    -1.1916    -3.0863	C.2	1	noname	0.0913
16	C10    -2.8749    -1.2815    -5.4266	C.3	1	noname	-0.0065
17	H1     2.9392     1.0292     0.4114	H	1	noname	0.0322
18	H2    -0.7506    -0.9588     0.4488	H	1	noname	0.0379
19	H3     1.3641    -0.4554     1.8398	H	1	noname	0.0277
20	H4     1.8276    -1.3432     0.3139	H	1	noname	0.0277
21	H5    -0.6219     0.9004     2.0676	H	1	noname	0.0467
22	H6     0.8893     2.7984     0.3933	H	1	noname	0.0283
23	H7     1.4225     1.9821     1.9909	H	1	noname	0.0283
24	H8     1.5733     1.7231    -1.8001	H	1	noname	0.0538
25	H9    -1.2039    -0.4787    -4.4994	H	1	noname	0.1331
26	H10    -3.1463    -0.3877    -5.9884	H	1	noname	0.0397
27	H11    -3.7782    -1.7647    -5.0541	H	1	noname	0.0397
28	H12    -2.3365    -1.9703    -6.0776	H	1	noname	0.0397
@<TRIPOS>BOND
1	12	1	1
2	2	4	1
3	2	15	1
4	3	15	2
5	4	13	2
6	5	14	3
7	6	15	1
8	6	16	1
9	6	25	1
10	7	9	1
11	7	11	1
12	7	12	1
13	7	17	1
14	8	9	1
15	8	10	1
16	8	13	1
17	8	18	1
18	9	19	1
19	9	20	1
20	10	11	1
21	10	14	1
22	10	21	1
23	11	22	1
24	11	23	1
25	12	13	1
26	12	24	1
27	16	26	1
28	16	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1