@<TRIPOS>MOLECULE
91617989
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4517     2.0139    -0.4952	O.3	1	noname	-0.3956
2	O2     7.1453    -0.4552     0.4071	O.3	1	noname	-0.3959
3	O3    -2.8592    -0.2984    -2.4701	O.2	1	noname	-0.2466
4	N1     0.9030    -0.6521    -0.0443	N.3	1	noname	0.0040
5	N2    -0.9265     0.5416    -0.4130	N.2	1	noname	-0.2111
6	N3     0.5403    -2.3410    -1.7987	N.3	1	noname	0.0727
7	N4    -1.4557    -1.9955    -3.0181	N.2	1	noname	-0.1576
8	N5    -0.0089    -3.7433    -3.5896	N.3	1	noname	-0.1336
9	C1     3.3267    -0.4903    -0.3425	C.3	1	noname	0.0150
10	C2     4.7302    -0.8959     0.2001	C.3	1	noname	-0.0080
11	C3     4.1440    -1.5931    -1.0396	C.3	1	noname	-0.0378
12	C4     2.1450    -1.0503     0.5029	C.3	1	noname	-0.0398
13	C5     3.1852     0.8221    -1.2111	C.3	1	noname	0.0507
14	C6     5.8987     0.0862    -0.0553	C.3	1	noname	0.0467
15	C7     0.2432    -1.2502    -1.0480	C.2	1	noname	0.0021
16	C8     0.2064     0.4455     0.3073	C.2	1	noname	-0.0399
17	C9    -0.9049    -0.5032    -1.2561	C.2	1	noname	0.0600
18	C10    -1.7954    -0.9108    -2.2619	C.2	1	noname	0.1446
19	C11    -0.3071    -2.6994    -2.8062	C.2	1	noname	-0.0479
20	H1     4.8119    -1.6397     1.0079	H	1	noname	0.0333
21	H2     3.7888    -2.6130    -0.8971	H	1	noname	0.0277
22	H3     4.6166    -1.3565    -1.9843	H	1	noname	0.0277
23	H4     2.1642    -2.1395     0.5262	H	1	noname	0.0479
24	H5     2.2491    -0.7205     1.5363	H	1	noname	0.0479
25	H6     2.1545     0.9145    -1.5876	H	1	noname	0.0570
26	H7     3.8034     0.7730    -2.1194	H	1	noname	0.0570
27	H8     5.6889     1.0308     0.4838	H	1	noname	0.0566
28	H9     5.9645     0.3238    -1.1218	H	1	noname	0.0566
29	H10     4.4525     2.0756    -0.4408	H	1	noname	0.2100
30	H11     7.8650     0.1867     0.2327	H	1	noname	0.2100
31	H12     0.5198     1.1272     1.0052	H	1	noname	0.1015
32	H13     1.3463    -2.8550    -1.6297	H	1	noname	0.0676
33	H14    -0.7092    -3.8624    -4.2500	H	1	noname	0.1257
34	H15     0.0636    -4.5442    -3.0472	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	13	1
2	1	29	1
3	2	14	1
4	2	30	1
5	3	18	2
6	4	12	1
7	4	15	1
8	4	16	1
9	5	16	2
10	5	17	1
11	6	15	1
12	6	19	1
13	6	32	1
14	7	18	1
15	7	19	2
16	8	19	1
17	8	33	1
18	8	34	1
19	9	10	1
20	9	11	1
21	9	12	1
22	9	13	1
23	10	11	1
24	10	14	1
25	10	20	1
26	11	21	1
27	11	22	1
28	12	23	1
29	12	24	1
30	13	25	1
31	13	26	1
32	14	27	1
33	14	28	1
34	15	17	2
35	16	31	1
36	17	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1