@<TRIPOS>MOLECULE
90008271
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.5087    -2.0920     2.6056	O.3	1	noname	-0.3882
2	O2     5.0033    -1.8799     2.4417	O.3	1	noname	-0.3885
3	O3     6.0613    -0.8007    -1.9152	O.3	1	noname	-0.3945
4	N1     3.6234    -0.6925    -0.4722	N.3	1	noname	-0.3001
5	N2    -0.7375     0.3822    -0.2423	N.3	1	noname	-0.0446
6	N3     0.9750    -2.4577    -1.5139	N.2	1	noname	-0.2499
7	N4    -1.1607    -2.4717    -2.5203	N.2	1	noname	-0.2422
8	N5    -2.7757    -0.7948    -2.1073	N.3	1	noname	-0.1119
9	C1     2.6423    -0.7420     0.6157	C.3	1	noname	0.0649
10	C2     2.9175    -2.1073     1.2458	C.3	1	noname	0.1011
11	C3     4.8672    -1.1260     0.1521	C.3	1	noname	0.0595
12	C4     4.4499    -2.1952     1.1725	C.3	1	noname	0.0994
13	C5     1.2777    -0.5532     0.0893	C.2	1	noname	0.0127
14	C6     5.7756    -1.7569    -0.9050	C.3	1	noname	0.0612
15	C7     0.6037    -1.3207    -0.8586	C.2	1	noname	0.0404
16	C8     0.4202     0.4976     0.4442	C.2	1	noname	-0.0813
17	C9    -0.6409    -0.7026    -1.0146	C.2	1	noname	0.0124
18	C10    -1.5605    -1.3177    -1.8937	C.2	1	noname	0.0335
19	C11     0.0724    -3.0505    -2.3570	C.2	1	noname	0.0207
20	H1     2.8451     0.0216     1.3808	H	1	noname	0.0545
21	H2     2.4653    -2.8682     0.6097	H	1	noname	0.0648
22	H3     5.3473    -0.3014     0.6790	H	1	noname	0.0517
23	H4     4.7307    -3.2026     0.8650	H	1	noname	0.0645
24	H5     3.7233     0.2713    -0.7972	H	1	noname	0.1233
25	H6     5.2735    -2.6161    -1.3496	H	1	noname	0.0580
26	H7     6.7057    -2.0811    -0.4382	H	1	noname	0.0580
27	H8     0.6366     1.2341     1.1158	H	1	noname	0.0793
28	H9     2.6851    -2.9673     3.0095	H	1	noname	0.2106
29	H10     5.9806    -1.9360     2.3949	H	1	noname	0.2106
30	H11    -1.5001     0.9789    -0.1847	H	1	noname	0.1523
31	H12     6.6431    -1.2048    -2.5924	H	1	noname	0.2100
32	H13     0.3131    -3.9076    -2.8548	H	1	noname	0.1062
33	H14    -3.2612    -1.3514    -2.7360	H	1	noname	0.1258
34	H15    -3.2620    -0.7539    -1.2690	H	1	noname	0.1258
@<TRIPOS>BOND
1	10	1	1
2	1	28	1
3	12	2	1
4	2	29	1
5	3	14	1
6	3	31	1
7	4	9	1
8	4	11	1
9	4	24	1
10	5	16	1
11	5	17	1
12	5	30	1
13	6	15	1
14	6	19	2
15	7	18	2
16	7	19	1
17	8	18	1
18	8	33	1
19	8	34	1
20	9	10	1
21	9	13	1
22	9	20	1
23	10	12	1
24	10	21	1
25	11	12	1
26	11	14	1
27	11	22	1
28	12	23	1
29	13	15	1
30	13	16	2
31	14	25	1
32	14	26	1
33	15	17	2
34	16	27	1
35	17	18	1
36	19	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1