@<TRIPOS>MOLECULE
76963478
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9300     1.4425     0.0000	O.3	1	noname	-0.2018
2	O2    -0.0367    -2.0600    -1.2492	O.3	1	noname	-0.2018
3	O3     0.0539    -4.0698    -2.2617	O.2	1	noname	-0.2549
4	O4    -3.8550     2.6116     0.0000	O.2	1	noname	-0.2549
5	N1    -1.9350     3.7721     0.0000	N.3	1	noname	-0.0485
6	N2    -1.1332    -2.4530    -3.2667	N.3	1	noname	-0.0485
7	C1     0.0000    -0.0000    -0.0000	C.3	1	noname	0.0183
8	C2     1.5300    -0.0000    -0.0000	C.3	1	noname	-0.0346
9	C3    -0.5100     1.4425     0.0000	C.3	1	noname	0.0656
10	C4    -0.5100    -0.7212    -1.2492	C.3	1	noname	0.0656
11	C5     2.0400     0.7212     1.2492	C.3	1	noname	-0.0529
12	C6    -0.5100    -0.7212     1.2492	C.3	1	noname	-0.0549
13	C7     2.0400     0.7212    -1.2492	C.3	1	noname	-0.0618
14	C8     3.5700     0.7212     1.2492	C.3	1	noname	-0.0651
15	C9    -0.3628    -2.8913    -2.2617	C.2	1	noname	0.0429
16	C10    -2.6050     2.6116     0.0000	C.2	1	noname	0.0429
17	H1     1.8933    -1.0277     0.0000	H	1	noname	0.0307
18	H2    -1.6000    -0.7212    -1.2492	H	1	noname	0.0580
19	H3    -0.1467    -0.2074    -2.1392	H	1	noname	0.0580
20	H4    -0.1467     1.9563    -0.8900	H	1	noname	0.0580
21	H5    -0.1467     1.9563     0.8900	H	1	noname	0.0580
22	H6     1.6767     0.2074     2.1392	H	1	noname	0.0267
23	H7     1.6767     1.7489     1.2492	H	1	noname	0.0267
24	H8    -1.6000    -0.7212     1.2492	H	1	noname	0.0238
25	H9    -0.1467    -1.7489     1.2492	H	1	noname	0.0238
26	H10    -0.1467    -0.2074     2.1392	H	1	noname	0.0238
27	H11     3.1300     0.7212    -1.2492	H	1	noname	0.0233
28	H12     1.6767     0.2074    -2.1392	H	1	noname	0.0233
29	H13     1.6767     1.7489    -1.2492	H	1	noname	0.0233
30	H14     3.9333     1.2351     2.1392	H	1	noname	0.0230
31	H15     3.9333    -0.3064     1.2492	H	1	noname	0.0230
32	H16     3.9333     1.2351     0.3593	H	1	noname	0.0230
33	H17    -2.4200     4.6122     0.0000	H	1	noname	0.1295
34	H18    -0.9650     3.7721     0.0000	H	1	noname	0.1295
35	H19    -1.3675    -3.0503    -3.9942	H	1	noname	0.1295
36	H20    -1.4565    -1.5385    -3.2667	H	1	noname	0.1295
@<TRIPOS>BOND
1	1	9	1
2	1	16	1
3	2	10	1
4	2	15	1
5	3	15	2
6	4	16	2
7	5	16	1
8	5	33	1
9	5	34	1
10	6	15	1
11	6	35	1
12	6	36	1
13	7	8	1
14	7	9	1
15	7	10	1
16	7	12	1
17	8	11	1
18	8	13	1
19	8	17	1
20	9	20	1
21	9	21	1
22	10	18	1
23	10	19	1
24	11	14	1
25	11	22	1
26	11	23	1
27	12	24	1
28	12	25	1
29	12	26	1
30	13	27	1
31	13	28	1
32	13	29	1
33	14	30	1
34	14	31	1
35	14	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1