@<TRIPOS>MOLECULE
68494999
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4858    -2.6376     4.2237	O.3	1	noname	-0.2723
2	O2    -1.4922     1.8591    -0.3406	O.2	1	noname	-0.2974
3	O3     6.8570     1.8304    -0.3691	O.2	1	noname	-0.2970
4	N1     4.8145     1.0040     0.0531	N.3	1	noname	-0.0805
5	C1     1.3720    -0.4727     0.2106	C.3	1	noname	-0.0066
6	C2     0.3609    -0.7552     1.2561	C.2	1	noname	-0.0034
7	C3     0.6441     0.5683    -0.6516	C.3	1	noname	0.0178
8	C4     2.6681     0.1720     0.7374	C.3	1	noname	-0.0328
9	C5     0.3337    -1.7398     2.2849	C.2	1	noname	-0.0071
10	C6    -0.7443     0.1168     1.1897	C.2	1	noname	-0.0261
11	C7    -0.6762     0.9853     0.0243	C.2	1	noname	0.0929
12	C8     1.1891    -2.9122     2.4834	C.3	1	noname	0.0343
13	C9    -0.6731    -1.6823     3.2789	C.2	1	noname	0.0168
14	C10     3.6281     0.4139    -0.4291	C.3	1	noname	0.0033
15	C11    -1.7841     0.1519     2.1556	C.2	1	noname	-0.0143
16	C12     0.3837    -3.6134     3.5867	C.3	1	noname	0.0575
17	C13    -1.7486    -0.7544     3.2552	C.2	1	noname	-0.0181
18	C14     5.8053     1.3073    -0.7966	C.2	1	noname	0.0371
19	C15     5.6564     1.0268    -2.2216	C.3	1	noname	0.0183
20	C16     5.7682     2.3316    -3.0127	C.3	1	noname	-0.0571
21	H1     1.6095    -1.3458    -0.3951	H	1	noname	0.0357
22	H2     0.4317     0.1432    -1.6326	H	1	noname	0.0356
23	H3     1.2632     1.4370    -0.8761	H	1	noname	0.0356
24	H4     2.4325     1.1220     1.2170	H	1	noname	0.0286
25	H5     3.1370    -0.4942     1.4616	H	1	noname	0.0286
26	H6     1.1806    -3.5250     1.5820	H	1	noname	0.0341
27	H7     2.2006    -2.5992     2.7425	H	1	noname	0.0341
28	H8     3.1593     1.0801    -1.1533	H	1	noname	0.0433
29	H9     3.8638    -0.5361    -0.9088	H	1	noname	0.0433
30	H10    -2.5497     0.8196     2.0635	H	1	noname	0.0631
31	H11    -0.2209    -4.4065     3.1469	H	1	noname	0.0575
32	H12     1.0375    -4.0989     4.3113	H	1	noname	0.0575
33	H13    -2.4587    -0.7376     3.9873	H	1	noname	0.0650
34	H14     4.9134     1.1903     0.9998	H	1	noname	0.1309
35	H15     4.6814     0.5744    -2.4030	H	1	noname	0.0358
36	H16     6.4405     0.3401    -2.5407	H	1	noname	0.0358
37	H17     5.6570     2.1222    -4.0766	H	1	noname	0.0235
38	H18     4.9841     3.0182    -2.6937	H	1	noname	0.0235
39	H19     6.7432     2.7840    -2.8314	H	1	noname	0.0235
@<TRIPOS>BOND
1	1	13	1
2	1	16	1
3	2	11	2
4	3	18	2
5	4	14	1
6	4	18	1
7	4	34	1
8	5	6	1
9	5	7	1
10	5	8	1
11	5	21	1
12	6	9	1
13	6	10	2
14	7	11	1
15	7	22	1
16	7	23	1
17	8	14	1
18	8	24	1
19	8	25	1
20	9	12	1
21	9	13	2
22	10	11	1
23	10	15	1
24	12	16	1
25	12	26	1
26	12	27	1
27	13	17	1
28	14	28	1
29	14	29	1
30	15	17	2
31	15	30	1
32	16	31	1
33	16	32	1
34	17	33	1
35	18	19	1
36	19	20	1
37	19	35	1
38	19	36	1
39	20	37	1
40	20	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1