@<TRIPOS>MOLECULE
DB05266
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0424    -0.9736    -0.3408	O.2	1	noname	-0.2917
2	C1     2.2337    -1.0835     0.6060	C.2	1	noname	0.1181
3	C2     1.0577    -0.3423     0.6051	C.2	1	noname	0.0458
4	C3     2.5242    -1.9902     1.7128	C.3	1	noname	0.0168
5	C4     0.3206     0.0988    -0.4881	C.2	1	noname	-0.0063
6	C5     0.3382     0.1347     1.7007	C.2	1	noname	0.0453
7	C6     1.9531    -3.3750     1.4010	C.3	1	noname	-0.0555
8	C7     4.0388    -2.0941     1.9028	C.3	1	noname	-0.0555
9	N1    -0.7319     0.8528    -0.0377	N.3	1	noname	-0.0616
10	C8     0.5120    -0.1825    -1.8695	C.2	1	noname	-0.0078
11	N2    -0.7164     0.8484     1.2640	N.2	1	noname	-0.3275
12	C9     0.6759    -0.1027     3.1011	C.3	1	noname	0.0583
13	C10    -1.6799     1.4388    -0.8450	C.2	1	noname	-0.0597
14	C11    -0.4722     0.3796    -2.7325	C.2	1	noname	-0.0112
15	C12    -0.4786    -0.8361     3.7868	C.3	1	noname	-0.0571
16	C13     0.9175     1.2359     3.8015	C.3	1	noname	-0.0571
17	C14    -1.5621     1.1818    -2.2431	C.2	1	noname	-0.0299
18	H1     2.0523    -1.5696     2.6008	H	1	noname	0.0380
19	H2     1.7377    -3.8974     2.3331	H	1	noname	0.0238
20	H3     1.0347    -3.2677     0.8239	H	1	noname	0.0238
21	H4     2.6802    -3.9463     0.8239	H	1	noname	0.0238
22	H5     4.2712    -2.1101     2.9677	H	1	noname	0.0238
23	H6     4.4012    -3.0111     1.4381	H	1	noname	0.0238
24	H7     4.5231    -1.2353     1.4381	H	1	noname	0.0238
25	H8     1.3458    -0.7806    -2.2372	H	1	noname	0.0643
26	H9     1.5797    -0.7118     3.1114	H	1	noname	0.0363
27	H10    -2.4639     2.0590    -0.4105	H	1	noname	0.0813
28	H11    -0.3887     0.1896    -3.8026	H	1	noname	0.0623
29	H12    -0.3640    -0.7633     4.8683	H	1	noname	0.0237
30	H13    -1.4244    -0.3824     3.4903	H	1	noname	0.0237
31	H14    -0.4700    -1.8849     3.4903	H	1	noname	0.0237
32	H15     0.8913     1.0908     4.8815	H	1	noname	0.0237
33	H16     1.8924     1.6272     3.5110	H	1	noname	0.0237
34	H17     0.1408     1.9433     3.5110	H	1	noname	0.0237
35	H18    -2.2989     1.5951    -2.9319	H	1	noname	0.0636
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	6	12	1
12	9	13	1
13	9	11	1
14	10	14	2
15	12	15	1
16	12	16	1
17	13	17	2
18	14	17	1
19	4	18	1
20	7	19	1
21	7	20	1
22	7	21	1
23	8	22	1
24	8	23	1
25	8	24	1
26	10	25	1
27	12	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	15	30	1
32	15	31	1
33	16	32	1
34	16	33	1
35	16	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1