@<TRIPOS>MOLECULE
57474311
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9705    -1.2229    -1.0811	O.3	1	noname	-0.2793
2	O2    -0.4580     3.3359     0.7493	O.3	1	noname	-0.2793
3	N1     3.6017     5.1097     0.7325	N.3	1	noname	-0.3301
4	C1    -0.5683    -1.4561     0.0683	C.3	1	noname	0.0217
5	C2     0.1102    -0.1689    -0.0517	C.2	1	noname	-0.0244
6	C3     1.4023     2.2819    -0.2802	C.2	1	noname	-0.0254
7	C4     1.3722    -0.0998    -0.6302	C.2	1	noname	-0.0185
8	C5    -0.5057     0.9874     0.4126	C.2	1	noname	-0.0260
9	C6     0.1403     2.2129     0.2984	C.2	1	noname	-0.0182
10	C7     2.0809     3.5691    -0.4002	C.3	1	noname	0.0250
11	C8     2.0183     1.1256    -0.7444	C.2	1	noname	-0.0259
12	C9    -1.4097    -1.7078    -1.1845	C.3	1	noname	-0.0586
13	C10    -1.4776    -1.4405     1.2987	C.3	1	noname	-0.0586
14	C11     2.9223     3.8208     0.8527	C.3	1	noname	-0.0035
15	C12     2.7412    -1.8003    -0.0375	C.3	1	noname	0.0423
16	C13    -1.2286     3.9134    -0.2943	C.3	1	noname	0.0423
17	H1     0.1723    -2.2488     0.1739	H	1	noname	0.0347
18	H2    -1.4318     0.9367     0.8371	H	1	noname	0.0654
19	H3     1.3402     4.3618    -0.5057	H	1	noname	0.0330
20	H4     2.7287     3.5580    -1.2767	H	1	noname	0.0330
21	H5     2.9443     1.1763    -1.1689	H	1	noname	0.0654
22	H6    -1.9163    -2.6688    -1.0949	H	1	noname	0.0236
23	H7    -2.1503    -0.9151    -1.2901	H	1	noname	0.0236
24	H8    -1.9842    -2.4014     1.3883	H	1	noname	0.0236
25	H9    -2.2183    -0.6478     1.1931	H	1	noname	0.0236
26	H10    -0.8782    -1.2612     2.1913	H	1	noname	0.0236
27	H11    -0.7619    -1.7189    -2.0610	H	1	noname	0.0236
28	H12     2.2744     3.8319     1.7292	H	1	noname	0.0429
29	H13     3.6629     3.0281     0.9583	H	1	noname	0.0429
30	H14     4.1638     5.2779     1.5694	H	1	noname	0.1184
31	H15     2.9073     5.8530     0.6335	H	1	noname	0.1184
32	H16     3.2242    -2.7071    -0.4016	H	1	noname	0.0535
33	H17     2.0901    -2.0471     0.8011	H	1	noname	0.0535
34	H18     3.5008    -1.0900     0.2890	H	1	noname	0.0535
35	H19    -1.7116     4.8201     0.0698	H	1	noname	0.0535
36	H20    -1.9882     3.2031    -0.6208	H	1	noname	0.0535
37	H21    -0.5776     4.1601    -1.1330	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	7	1
2	1	15	1
3	2	9	1
4	2	16	1
5	3	14	1
6	3	30	1
7	3	31	1
8	4	5	1
9	4	12	1
10	4	13	1
11	4	17	1
12	5	7	2
13	5	8	1
14	6	9	1
15	6	10	1
16	6	11	2
17	7	11	1
18	8	9	2
19	8	18	1
20	10	14	1
21	10	19	1
22	10	20	1
23	11	21	1
24	12	22	1
25	12	23	1
26	12	27	1
27	13	24	1
28	13	25	1
29	13	26	1
30	14	28	1
31	14	29	1
32	15	32	1
33	15	33	1
34	15	34	1
35	16	35	1
36	16	36	1
37	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1