@<TRIPOS>MOLECULE
91617680
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6000     1.7364    -0.6364	O.3	1	noname	-0.3956
2	O2     7.1771    -0.9394    -0.0311	O.3	1	noname	-0.3959
3	O3    -2.9095    -0.1459    -2.4124	O.2	1	noname	-0.2752
4	N1     0.9424    -0.8157    -0.1960	N.3	1	noname	0.0137
5	N2    -0.8337     0.4896    -0.4124	N.2	1	noname	-0.1998
6	N3     0.4090    -2.3909    -2.0107	N.2	1	noname	-0.2053
7	N4    -1.6203    -1.8829    -3.1117	N.3	1	noname	0.0507
8	N5    -0.2983    -3.6827    -3.8249	N.3	1	noname	-0.1233
9	C1     3.3482    -0.7563    -0.5893	C.3	1	noname	0.0150
10	C2     4.7444    -1.2628    -0.1427	C.3	1	noname	-0.0080
11	C3     4.0599    -1.8611    -1.3821	C.3	1	noname	-0.0378
12	C4     2.1839    -1.3027     0.2741	C.3	1	noname	-0.0337
13	C5     3.2365     0.5946    -1.3980	C.3	1	noname	0.0507
14	C6     5.9476    -0.3458    -0.4249	C.3	1	noname	0.0467
15	C7     0.2063    -1.3266    -1.1868	C.2	1	noname	0.0325
16	C8     0.3247     0.3011     0.2410	C.2	1	noname	-0.0271
17	C9    -0.9165    -0.5167    -1.3078	C.2	1	noname	0.0936
18	C10    -1.8612    -0.8267    -2.2801	C.2	1	noname	0.0882
19	C11    -0.5029    -2.6589    -2.9816	C.2	1	noname	-0.0774
20	H1     4.8357    -2.0571     0.6132	H	1	noname	0.0333
21	H2     3.6514    -2.8599    -1.2650	H	1	noname	0.0277
22	H3     4.3551    -1.5541    -2.3796	H	1	noname	0.0277
23	H4     2.1498    -2.3925     0.2378	H	1	noname	0.0480
24	H5     2.3520    -1.0335     1.3155	H	1	noname	0.0480
25	H6     2.2062     0.7657    -1.7070	H	1	noname	0.0570
26	H7     3.8129     0.5708    -2.3359	H	1	noname	0.0570
27	H8     5.8604     0.5595     0.1858	H	1	noname	0.0566
28	H9     5.9686    -0.0740    -1.4889	H	1	noname	0.0566
29	H10     4.5984     1.7565    -0.6421	H	1	noname	0.2100
30	H11     7.9144    -0.3245    -0.2277	H	1	noname	0.2100
31	H12     0.7076     0.9302     0.9525	H	1	noname	0.1016
32	H13     0.5382    -4.1213    -3.6042	H	1	noname	0.1268
33	H14    -1.0272    -4.3178    -3.7452	H	1	noname	0.1268
34	H15    -2.2502    -2.0818    -3.8156	H	1	noname	0.1400
@<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	2
13	7	18	1
14	7	19	1
15	7	34	1
16	8	19	1
17	8	32	1
18	8	33	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