@<TRIPOS>MOLECULE
57493771
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1373    -2.3243    -1.0823	O.2	1	noname	-0.2923
2	N1    -2.8180    -1.5198     1.2828	N.3	1	noname	-0.3032
3	C1    -1.4575    -1.1913     0.8602	C.3	1	noname	0.0683
4	C2    -2.9912    -2.9715     1.2829	C.3	1	noname	0.0213
5	C3    -1.2275    -1.7090    -0.4854	C.2	1	noname	0.0982
6	C4    -1.2763     0.3279     0.8601	C.3	1	noname	-0.0422
7	C5     0.0031    -1.5177    -1.1028	C.2	1	noname	-0.0278
8	C6    -4.3498    -3.2995     1.7049	C.2	1	noname	-0.0488
9	C7     1.1592    -1.4308    -0.3361	C.2	1	noname	-0.0194
10	C8     0.0775    -1.4132    -2.4869	C.2	1	noname	-0.0194
11	C9     2.4642    -1.1350    -2.3376	C.2	1	noname	-0.0372
12	C10    -5.1915    -4.0040     0.8521	C.2	1	noname	-0.0532
13	C11    -4.8016    -2.9073     2.9596	C.2	1	noname	-0.0532
14	C12     2.3898    -1.2395    -0.9535	C.2	1	noname	-0.0533
15	C13     1.3081    -1.2219    -3.1043	C.2	1	noname	-0.0533
16	C14    -6.4850    -4.3163     1.2539	C.2	1	noname	-0.0595
17	C15    -6.0951    -3.2196     3.3614	C.2	1	noname	-0.0595
18	C16     3.7568    -0.9340    -2.9860	C.3	1	noname	0.0006
19	C17    -6.9368    -3.9241     2.5085	C.2	1	noname	-0.0613
20	H1    -0.7440    -1.6423     1.5498	H	1	noname	0.0548
21	H2    -3.4870    -1.0970     0.6362	H	1	noname	0.1232
22	H3    -2.8195    -3.3580     0.2783	H	1	noname	0.0478
23	H4    -2.2776    -3.4225     1.9726	H	1	noname	0.0478
24	H5    -0.2619     0.5728     0.5450	H	1	noname	0.0251
25	H6    -1.9898     0.7789     0.1704	H	1	noname	0.0251
26	H7    -1.4479     0.7144     1.8647	H	1	noname	0.0251
27	H8     1.1046    -1.5075     0.6795	H	1	noname	0.0630
28	H9    -0.7709    -1.4769    -3.0495	H	1	noname	0.0630
29	H10    -4.8600    -4.2918    -0.0686	H	1	noname	0.0626
30	H11    -4.1840    -2.3904     3.5854	H	1	noname	0.0626
31	H12     3.2382    -1.1758    -0.3909	H	1	noname	0.0625
32	H13     1.3627    -1.1452    -4.1199	H	1	noname	0.0625
33	H14    -7.1026    -4.8332     0.6280	H	1	noname	0.0622
34	H15    -6.4267    -2.9318     4.2821	H	1	noname	0.0622
35	H16     3.7410     0.0012    -3.5456	H	1	noname	0.0279
36	H17     3.9541    -1.7617    -3.6672	H	1	noname	0.0279
37	H18     4.5402    -0.8915    -2.2293	H	1	noname	0.0279
38	H19    -7.8860    -4.1532     2.8034	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	5	2
2	2	3	1
3	2	4	1
4	2	21	1
5	3	5	1
6	3	6	1
7	3	20	1
8	4	8	1
9	4	22	1
10	4	23	1
11	5	7	1
12	6	24	1
13	6	25	1
14	6	26	1
15	7	9	2
16	7	10	1
17	8	12	2
18	8	13	1
19	9	14	1
20	9	27	1
21	10	15	2
22	10	28	1
23	11	14	2
24	11	15	1
25	11	18	1
26	12	16	1
27	12	29	1
28	13	17	2
29	13	30	1
30	14	31	1
31	15	32	1
32	16	19	2
33	16	33	1
34	17	19	1
35	17	34	1
36	18	35	1
37	18	36	1
38	18	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1