@<TRIPOS>MOLECULE
90478582
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2291    -1.6527    -0.2189	O.2	1	noname	-0.2958
2	O2     3.0927    -2.4359     1.3112	O.3	1	noname	-0.2139
3	O3     1.0631    -1.5925     1.8031	O.2	1	noname	-0.2495
4	N1     1.3640    -4.5172     0.2104	N.3	1	noname	-0.3190
5	N2     1.9542    -0.4537    -0.4108	N.3	1	noname	-0.1472
6	C1    -0.3541    -2.7923    -0.0491	C.3	1	noname	0.0356
7	C2     1.1529    -3.0870    -0.0073	C.3	1	noname	0.0985
8	C3    -0.9860    -1.4591    -0.2511	C.2	1	noname	0.0956
9	C4    -0.5093    -0.1020    -0.4592	C.2	1	noname	-0.0335
10	C5     0.8611     0.3203    -0.5265	C.2	1	noname	0.0031
11	C6    -1.4901     0.9373    -0.6157	C.2	1	noname	-0.0237
12	C7     1.7662    -2.3331     1.0822	C.2	1	noname	0.1439
13	C8     1.2109     1.6654    -0.7325	C.2	1	noname	-0.0593
14	C9    -1.1241     2.2852    -0.8221	C.2	1	noname	-0.0815
15	C10     0.2343     2.6492    -0.8805	C.2	1	noname	-0.0448
16	H1    -0.8511    -3.5293    -0.6799	H	1	noname	0.0372
17	H2    -0.7356    -3.1016     0.9240	H	1	noname	0.0372
18	H3     1.6071    -2.7926    -0.9535	H	1	noname	0.0576
19	H4    -2.5021     0.7443    -0.5841	H	1	noname	0.0630
20	H5     0.9347    -5.0449    -0.5523	H	1	noname	0.1192
21	H6     0.9382    -4.7932     1.0976	H	1	noname	0.1192
22	H7     2.2082     1.9371    -0.7761	H	1	noname	0.0639
23	H8    -1.8298     3.0131    -0.9316	H	1	noname	0.0622
24	H9     0.5198     3.6160    -1.0286	H	1	noname	0.0623
25	H10     2.7495     0.0951    -0.4962	H	1	noname	0.1243
26	H11     1.9493    -1.1267    -1.1093	H	1	noname	0.1243
27	H12     3.4430    -2.3271     2.2200	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	2
2	2	12	1
3	2	27	1
4	3	12	2
5	7	4	1
6	4	20	1
7	4	21	1
8	5	10	1
9	5	25	1
10	5	26	1
11	6	7	1
12	6	8	1
13	6	16	1
14	6	17	1
15	7	12	1
16	7	18	1
17	8	9	1
18	9	10	1
19	9	11	2
20	10	13	2
21	11	14	1
22	11	19	1
23	13	15	1
24	13	22	1
25	14	15	2
26	14	23	1
27	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1