@<TRIPOS>MOLECULE
71300672
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6748     5.2222     6.0667	O.2	1	noname	-0.2919
2	O2     3.1832     4.0477     0.7592	O.3	1	noname	-0.2441
3	O3     4.8162     5.6625     1.4321	O.3	1	noname	-0.2431
4	N1    -1.6889     4.1669     5.4240	N.3	1	noname	-0.2932
5	C1    -1.2795     3.0874     6.3556	C.3	1	noname	-0.0010
6	C2    -3.0382     3.6430     5.0876	C.3	1	noname	-0.0010
7	C3    -0.7578     4.4093     4.2616	C.3	1	noname	0.0731
8	C4    -2.4576     3.0294     7.3241	C.3	1	noname	-0.0392
9	C5    -3.6772     3.2198     6.4107	C.3	1	noname	-0.0392
10	C6    -1.2460     5.5095     3.2709	C.3	1	noname	-0.0329
11	C7     0.5938     4.9120     4.8585	C.2	1	noname	0.1000
12	C8    -1.3902     6.8384     4.0153	C.3	1	noname	-0.0634
13	C9     1.7614     5.0158     3.9905	C.2	1	noname	-0.0181
14	C10     1.8615     4.2598     2.7885	C.2	1	noname	0.0248
15	C11     2.7047     5.9954     4.3972	C.2	1	noname	-0.0156
16	C12     2.9460     4.5781     1.9633	C.2	1	noname	0.0437
17	C13     3.8790     5.5520     2.3717	C.2	1	noname	0.0495
18	C14     3.8153     6.2957     3.5811	C.2	1	noname	-0.0049
19	C15     4.5070     4.5587     0.5599	C.3	1	noname	0.1587
20	H1    -1.2095     2.1454     5.8118	H	1	noname	0.0430
21	H2    -0.3052     3.2547     6.8147	H	1	noname	0.0430
22	H3    -3.6331     4.4358     4.6340	H	1	noname	0.0430
23	H4    -2.9233     2.7844     4.4260	H	1	noname	0.0430
24	H5    -0.6171     3.4648     3.7274	H	1	noname	0.0553
25	H6    -2.5000     2.0429     7.7859	H	1	noname	0.0280
26	H7    -2.3942     3.8594     8.0278	H	1	noname	0.0280
27	H8    -4.2939     4.0333     6.7929	H	1	noname	0.0280
28	H9    -4.2561     2.3086     6.2603	H	1	noname	0.0280
29	H10    -2.2104     5.2204     2.8534	H	1	noname	0.0284
30	H11    -0.5201     5.6211     2.4655	H	1	noname	0.0284
31	H12    -1.7315     7.6077     3.3226	H	1	noname	0.0231
32	H13    -2.1160     6.7268     4.8208	H	1	noname	0.0231
33	H14    -0.4257     7.1275     4.4328	H	1	noname	0.0231
34	H15     1.1874     3.5341     2.5449	H	1	noname	0.0658
35	H16     2.5788     6.4843     5.2835	H	1	noname	0.0631
36	H17     4.5163     6.9906     3.8383	H	1	noname	0.0651
37	H18     4.6231     4.8720    -0.4776	H	1	noname	0.0892
38	H19     5.1944     3.7538     0.8200	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	11	2
2	2	16	1
3	2	19	1
4	3	17	1
5	3	19	1
6	4	5	1
7	4	6	1
8	4	7	1
9	5	8	1
10	5	20	1
11	5	21	1
12	6	9	1
13	6	22	1
14	6	23	1
15	7	10	1
16	7	11	1
17	7	24	1
18	8	9	1
19	8	25	1
20	8	26	1
21	9	27	1
22	9	28	1
23	10	12	1
24	10	29	1
25	10	30	1
26	11	13	1
27	12	31	1
28	12	32	1
29	12	33	1
30	13	14	2
31	13	15	1
32	14	16	1
33	14	34	1
34	15	18	2
35	15	35	1
36	16	17	2
37	17	18	1
38	18	36	1
39	19	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1