@<TRIPOS>MOLECULE
73415977
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.2904     2.1089     0.6882	Cl	1	noname	-0.0797
2	O1    -0.8455    -2.2189     0.2350	O.3	1	noname	-0.3802
3	N1     1.2096    -0.2467     3.9468	N.3	1	noname	-0.3092
4	C1    -0.7154    -0.7893     0.4786	C.3	1	noname	0.1174
5	C2     0.1744    -0.8798     1.7979	C.3	1	noname	-0.0027
6	C3     0.2974     0.2152     2.9018	C.3	1	noname	0.0010
7	C4     0.0588    -0.1110    -0.6794	C.2	1	noname	-0.0060
8	C5    -2.1730    -0.2868     0.5417	C.2	1	noname	-0.0391
9	C6     0.8836     1.0953    -0.6034	C.2	1	noname	0.0017
10	C7    -0.0722    -0.6907    -2.0019	C.2	1	noname	-0.0365
11	C8    -3.0749    -0.3343    -0.5935	C.2	1	noname	-0.0468
12	C9    -2.6965     0.3280     1.7406	C.2	1	noname	-0.0468
13	C10     1.3249     0.7796     4.9816	C.3	1	noname	-0.0136
14	C11     2.5265    -0.5031     3.3658	C.3	1	noname	-0.0136
15	C12     1.5250     1.6658    -1.7381	C.2	1	noname	-0.0241
16	C13     0.5607    -0.1127    -3.1416	C.2	1	noname	-0.0547
17	C14    -4.3822     0.2662    -0.5779	C.2	1	noname	-0.0578
18	C15    -3.9930     0.9232     1.8025	C.2	1	noname	-0.0578
19	C16     1.3543     1.0537    -3.0026	C.2	1	noname	-0.0506
20	C17    -4.8078     0.8856     0.6316	C.2	1	noname	-0.0609
21	H1     0.0318    -1.8536     2.2663	H	1	noname	0.0316
22	H2     1.1919    -0.9992     1.4257	H	1	noname	0.0316
23	H3    -0.6844     0.4063     3.3350	H	1	noname	0.0431
24	H4     0.6851     1.1336     2.4610	H	1	noname	0.0431
25	H5     0.0437    -2.6110     0.1091	H	1	noname	0.2118
26	H6    -0.6323    -1.5349    -2.1203	H	1	noname	0.0627
27	H7    -2.7688    -0.8145    -1.4398	H	1	noname	0.0626
28	H8    -2.1148     0.3371     2.5784	H	1	noname	0.0626
29	H9     2.0050     0.4352     5.7607	H	1	noname	0.0394
30	H10     0.3431     0.9708     5.4148	H	1	noname	0.0394
31	H11     3.2065    -0.8475     4.1450	H	1	noname	0.0394
32	H12     2.4405    -1.2683     2.5943	H	1	noname	0.0394
33	H13     2.9142     0.4153     2.9251	H	1	noname	0.0394
34	H14     1.7126     1.6980     4.5408	H	1	noname	0.0394
35	H15     2.0991     2.5033    -1.6416	H	1	noname	0.0638
36	H16     0.4420    -0.5401    -4.0601	H	1	noname	0.0622
37	H17    -4.9820     0.2489    -1.4027	H	1	noname	0.0622
38	H18    -4.3275     1.3630     2.6599	H	1	noname	0.0622
39	H19     1.8074     1.4563    -3.8230	H	1	noname	0.0623
40	H20    -5.7305     1.3191     0.6622	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	1
2	4	2	1
3	2	25	1
4	3	6	1
5	3	13	1
6	3	14	1
7	4	5	1
8	4	7	1
9	4	8	1
10	5	6	1
11	5	21	1
12	5	22	1
13	6	23	1
14	6	24	1
15	7	9	1
16	7	10	2
17	8	11	2
18	8	12	1
19	9	15	2
20	10	16	1
21	10	26	1
22	11	17	1
23	11	27	1
24	12	18	2
25	12	28	1
26	13	29	1
27	13	30	1
28	13	34	1
29	14	31	1
30	14	32	1
31	14	33	1
32	15	19	1
33	15	35	1
34	16	19	2
35	16	36	1
36	17	20	2
37	17	37	1
38	18	20	1
39	18	38	1
40	19	39	1
41	20	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1