@<TRIPOS>MOLECULE
71440701
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1844    -1.0815     0.6328	O.3	1	noname	-0.2630
2	O2    -1.6916    -3.6684    -1.4504	O.3	1	noname	-0.3892
3	O3     2.2440    -1.8713     0.7692	O.3	1	noname	-0.2165
4	O4     3.4524    -0.8232    -0.8163	O.2	1	noname	-0.2559
5	N1    -2.8967    -4.2782     1.0449	N.3	1	noname	-0.3118
6	N2     3.4423     1.7136    -0.5818	N.3	1	noname	-0.1420
7	C1    -1.2157    -3.0706    -0.2535	C.3	1	noname	0.0904
8	C2    -2.3660    -2.9487     0.7480	C.3	1	noname	0.0239
9	C3    -3.9959    -4.1616     2.0019	C.3	1	noname	0.0012
10	C4    -0.6603    -1.6793    -0.5641	C.3	1	noname	0.0806
11	C5    -4.5513    -5.5530     2.3125	C.3	1	noname	-0.0500
12	C6    -3.4831    -3.5175     3.2915	C.3	1	noname	-0.0500
13	C7     0.3056     0.1462     0.3586	C.2	1	noname	0.0437
14	C8     1.6458     0.3007     0.0235	C.2	1	noname	0.0046
15	C9    -0.5299     1.2558     0.4115	C.2	1	noname	-0.0480
16	C10     2.1504     1.5647    -0.2588	C.2	1	noname	0.0227
17	C11    -0.0253     2.5198     0.1292	C.2	1	noname	-0.0315
18	C12     1.3148     2.6743    -0.2059	C.2	1	noname	-0.0658
19	C13     2.4813    -0.8089    -0.0294	C.2	1	noname	0.0941
20	H1    -0.4267    -3.6899     0.1732	H	1	noname	0.0638
21	H2    -3.1550    -2.3294     0.3214	H	1	noname	0.0455
22	H3    -2.0007    -2.4898     1.6668	H	1	noname	0.0455
23	H4    -4.7849    -3.5424     1.5752	H	1	noname	0.0459
24	H5    -3.2392    -4.7084     0.1835	H	1	noname	0.1225
25	H6    -1.4494    -1.0600    -0.9908	H	1	noname	0.0599
26	H7     0.1591    -1.7662    -1.2776	H	1	noname	0.0599
27	H8    -4.3026    -3.4306     4.0049	H	1	noname	0.0246
28	H9    -3.0874    -2.5263     3.0701	H	1	noname	0.0246
29	H10    -5.3707    -5.4661     3.0260	H	1	noname	0.0246
30	H11    -4.9166    -6.0118     1.3938	H	1	noname	0.0246
31	H12    -3.7622    -6.1722     2.7392	H	1	noname	0.0246
32	H13    -2.6940    -4.1368     3.7181	H	1	noname	0.0246
33	H14    -0.9549    -3.7466    -2.0918	H	1	noname	0.2106
34	H15    -1.5133     1.1424     0.6574	H	1	noname	0.0650
35	H16    -0.6384     3.3341     0.1680	H	1	noname	0.0624
36	H17     1.6851     3.6019    -0.4130	H	1	noname	0.0639
37	H18     3.6283     2.6512    -0.7469	H	1	noname	0.1243
38	H19     3.6370     1.1997    -1.3811	H	1	noname	0.1243
39	H20     2.4966    -2.7714     0.4752	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	10	1
2	1	13	1
3	2	7	1
4	2	33	1
5	3	19	1
6	3	39	1
7	4	19	2
8	5	8	1
9	5	9	1
10	5	24	1
11	6	16	1
12	6	37	1
13	6	38	1
14	7	8	1
15	7	10	1
16	7	20	1
17	8	21	1
18	8	22	1
19	9	11	1
20	9	12	1
21	9	23	1
22	10	25	1
23	10	26	1
24	11	29	1
25	11	30	1
26	11	31	1
27	12	27	1
28	12	28	1
29	12	32	1
30	13	14	1
31	13	15	2
32	14	16	2
33	14	19	1
34	15	17	1
35	15	34	1
36	16	18	1
37	17	18	2
38	17	35	1
39	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1