@<TRIPOS>MOLECULE
91826832
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9060    -0.7629     1.6302	O.2	1	noname	-0.2699
2	N1    -3.1437    -1.9012     2.1615	N.3	1	noname	-0.2926
3	N2    -0.8541    -0.7116    -0.5682	N.3	1	noname	-0.1368
4	C1    -3.2798    -0.6262     2.9531	C.3	1	noname	-0.0010
5	C2    -4.4142    -2.6017     2.5158	C.3	1	noname	-0.0010
6	C3    -3.6063    -1.1382     4.3566	C.3	1	noname	-0.0392
7	C4    -4.5472    -2.3182     4.0464	C.3	1	noname	-0.0392
8	C5    -2.7823    -1.8084     0.6824	C.3	1	noname	0.0813
9	C6    -2.6152    -3.1923    -0.0514	C.3	1	noname	-0.0410
10	C7    -1.4876    -1.0780     0.5765	C.2	1	noname	0.1377
11	C8     0.4463    -0.2156    -0.5963	C.2	1	noname	-0.0296
12	C9     1.5463    -0.4571     0.3109	C.2	1	noname	-0.0344
13	C10     0.6828     0.6434    -1.7010	C.2	1	noname	-0.0386
14	C11     2.7301     0.3163     0.1824	C.2	1	noname	-0.0606
15	C12     1.7701    -1.5062     1.3487	C.3	1	noname	0.0053
16	C13     1.8934     1.3216    -1.8398	C.2	1	noname	-0.0642
17	C14     2.9108     1.1808    -0.8978	C.2	1	noname	-0.0641
18	H1    -5.2486    -2.1165     1.9653	H	1	noname	0.0430
19	H2    -4.3864    -3.6929     2.3220	H	1	noname	0.0430
20	H3    -4.0637     0.0143     2.5209	H	1	noname	0.0430
21	H4    -2.4142     0.0077     3.1209	H	1	noname	0.0430
22	H5    -4.0465    -0.3344     4.9446	H	1	noname	0.0280
23	H6    -2.6892    -1.4640     4.8751	H	1	noname	0.0280
24	H7    -5.5686    -2.0262     4.2943	H	1	noname	0.0280
25	H8    -4.2657    -3.1877     4.6514	H	1	noname	0.0280
26	H9    -3.5559    -1.2290     0.1663	H	1	noname	0.0561
27	H10    -2.4301    -3.0310    -1.1189	H	1	noname	0.0251
28	H11    -3.5131    -3.8078     0.0189	H	1	noname	0.0251
29	H12    -1.7738    -3.7777     0.3388	H	1	noname	0.0251
30	H13    -1.3482    -0.7785    -1.4083	H	1	noname	0.1371
31	H14    -0.0281     0.7946    -2.4229	H	1	noname	0.0639
32	H15     3.5111     0.2400     0.8237	H	1	noname	0.0625
33	H16     1.1118    -2.3590     1.2723	H	1	noname	0.0280
34	H17     1.6764    -1.0625     2.3399	H	1	noname	0.0280
35	H18     2.8142    -1.8145     1.2943	H	1	noname	0.0280
36	H19     2.0534     1.9482    -2.6268	H	1	noname	0.0623
37	H20     3.7985     1.6714    -0.9754	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	10	2
2	2	4	1
3	2	5	1
4	2	8	1
5	3	10	1
6	3	11	1
7	3	30	1
8	4	6	1
9	4	20	1
10	4	21	1
11	5	7	1
12	5	18	1
13	5	19	1
14	6	7	1
15	6	22	1
16	6	23	1
17	7	24	1
18	7	25	1
19	8	9	1
20	8	10	1
21	8	26	1
22	9	27	1
23	9	28	1
24	9	29	1
25	11	12	1
26	11	13	2
27	12	14	2
28	12	15	1
29	13	16	1
30	13	31	1
31	14	17	1
32	14	32	1
33	15	33	1
34	15	34	1
35	15	35	1
36	16	17	2
37	16	36	1
38	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1