@<TRIPOS>MOLECULE
71346574
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5650    -2.2602     0.2894	O.2	1	noname	-0.2693
2	O2    -2.5630    -3.7703    -0.8721	O.2	1	noname	-0.2766
3	N1    -1.7334    -1.5116    -0.4646	N.3	1	noname	-0.0467
4	N2    -0.2096    -3.2134    -1.0464	N.3	1	noname	0.0765
5	N3     0.3336    -4.2017    -1.7737	N.3	1	noname	-0.0331
6	C1    -0.3920    -0.8870    -0.4188	C.3	1	noname	0.1245
7	C2     0.4750    -2.1563    -0.3136	C.2	1	noname	0.1195
8	C3    -0.2535     0.1045     0.7424	C.2	1	noname	-0.0422
9	C4    -0.0673    -0.3186    -1.8460	C.3	1	noname	-0.0334
10	C5    -1.6255    -2.9463    -0.8046	C.2	1	noname	0.0222
11	C6    -0.3746     1.5376     0.5401	C.2	1	noname	-0.0489
12	C7     0.0584    -0.3403     2.0977	C.2	1	noname	-0.0489
13	C8    -0.0796     2.4838     1.5751	C.2	1	noname	-0.0584
14	C9     0.3561     0.5869     3.1431	C.2	1	noname	-0.0584
15	C10     0.5594    -5.3074    -0.9587	C.2	1	noname	-0.0274
16	C11     0.3045     1.9848     2.8532	C.2	1	noname	-0.0611
17	C12     1.1200    -6.4617    -1.4929	C.2	1	noname	-0.0575
18	C13     0.2244    -5.2571     0.3894	C.2	1	noname	-0.0575
19	C14     1.3455    -7.5658    -0.6791	C.2	1	noname	-0.0623
20	C15     0.4498    -6.3612     1.2032	C.2	1	noname	-0.0623
21	C16     1.0104    -7.5155     0.6690	C.2	1	noname	-0.0849
22	H1    -2.5666    -1.0448    -0.2953	H	1	noname	0.1339
23	H2     0.9181     0.1471    -1.8360	H	1	noname	0.0258
24	H3    -0.8171     0.4233    -2.1208	H	1	noname	0.0258
25	H4    -0.0776    -1.1316    -2.5719	H	1	noname	0.0258
26	H5    -0.6802     1.8824    -0.3699	H	1	noname	0.0626
27	H6     0.0640    -1.3393     2.3035	H	1	noname	0.0626
28	H7     1.2203    -3.8846    -2.1710	H	1	noname	0.1487
29	H8    -0.1429     3.4870     1.4016	H	1	noname	0.0622
30	H9     0.6004     0.2575     4.0770	H	1	noname	0.0622
31	H10     0.5512     2.6489     3.5869	H	1	noname	0.0622
32	H11     1.3659    -6.4986    -2.4822	H	1	noname	0.0639
33	H12    -0.1870    -4.4101     0.7814	H	1	noname	0.0639
34	H13     1.7568    -8.4128    -1.0712	H	1	noname	0.0623
35	H14     0.2039    -6.3243     2.1924	H	1	noname	0.0623
36	H15     1.1759    -8.3257     1.2661	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	2
2	2	10	2
3	3	6	1
4	3	10	1
5	3	22	1
6	4	5	1
7	4	7	1
8	4	10	1
9	5	15	1
10	5	28	1
11	6	7	1
12	6	8	1
13	6	9	1
14	8	11	2
15	8	12	1
16	9	23	1
17	9	24	1
18	9	25	1
19	11	13	1
20	11	26	1
21	12	14	2
22	12	27	1
23	13	16	2
24	13	29	1
25	14	16	1
26	14	30	1
27	15	17	2
28	15	18	1
29	16	31	1
30	17	19	1
31	17	32	1
32	18	20	2
33	18	33	1
34	19	21	2
35	19	34	1
36	20	21	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1