@<TRIPOS>MOLECULE
71587843
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3094     2.3409    -2.4125	O.2	1	noname	-0.2945
2	O2     3.4123     1.3547     0.3341	O.3	1	noname	-0.2138
3	O3     3.3985    -0.6473    -0.5774	O.2	1	noname	-0.2493
4	N1     0.3656     0.9737    -0.6751	N.3	1	noname	-0.0610
5	C1     1.2540     0.2673     0.2329	C.3	1	noname	0.1028
6	C2     0.6333    -1.1431     0.1730	C.3	1	noname	-0.0263
7	C3    -0.8685    -0.9467    -0.0576	C.3	1	noname	-0.0379
8	C4    -0.9758     0.5182    -0.4693	C.3	1	noname	0.0067
9	C5     0.6228     1.8974    -1.6930	C.2	1	noname	0.0456
10	C6     1.9446     2.4468    -2.0609	C.3	1	noname	0.0214
11	C7     2.7572     1.5134    -2.9832	C.3	1	noname	-0.0450
12	C8     4.1035     2.1635    -3.3083	C.3	1	noname	-0.0528
13	C9     2.7240     0.2656    -0.0354	C.2	1	noname	0.1441
14	C10     4.9091     1.2382    -4.2226	C.3	1	noname	-0.0533
15	C11     6.2554     1.8883    -4.5477	C.3	1	noname	-0.0535
16	C12     7.0609     0.9630    -5.4620	C.3	1	noname	-0.0561
17	C13     8.4073     1.6131    -5.7871	C.3	1	noname	-0.0654
18	H1     1.1143     0.6506     1.2643	H	1	noname	0.0580
19	H2     0.7915    -1.6503     1.1248	H	1	noname	0.0288
20	H3     1.0520    -1.6733    -0.6823	H	1	noname	0.0288
21	H4    -1.4032    -1.1008     0.8796	H	1	noname	0.0280
22	H5    -1.2077    -1.6374    -0.8296	H	1	noname	0.0280
23	H6    -1.5324     0.5933    -1.4035	H	1	noname	0.0436
24	H7    -1.4065     1.0544     0.3764	H	1	noname	0.0436
25	H8     1.8137     3.4137    -2.5468	H	1	noname	0.0361
26	H9     2.5594     2.5577    -1.1677	H	1	noname	0.0361
27	H10     2.2036     1.3430    -3.9065	H	1	noname	0.0271
28	H11     2.9256     0.5615    -2.4795	H	1	noname	0.0271
29	H12     3.9352     3.1154    -3.8120	H	1	noname	0.0267
30	H13     4.6571     2.3339    -2.3850	H	1	noname	0.0267
31	H14     4.3555     1.0678    -5.1459	H	1	noname	0.0266
32	H15     5.0774     0.2863    -3.7189	H	1	noname	0.0266
33	H16     6.0870     2.8401    -5.0514	H	1	noname	0.0266
34	H17     6.8090     2.0587    -3.6244	H	1	noname	0.0266
35	H18     6.5073     0.7926    -6.3853	H	1	noname	0.0264
36	H19     7.2293     0.0111    -4.9583	H	1	noname	0.0264
37	H20     8.9812     0.9539    -6.4385	H	1	noname	0.0230
38	H21     8.2389     2.5649    -6.2908	H	1	noname	0.0230
39	H22     8.9609     1.7835    -4.8638	H	1	noname	0.0230
40	H23     4.2514     1.5883    -0.1066	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	2
2	2	13	1
3	2	40	1
4	3	13	2
5	4	5	1
6	4	8	1
7	4	9	1
8	5	6	1
9	5	13	1
10	5	18	1
11	6	7	1
12	6	19	1
13	6	20	1
14	7	8	1
15	7	21	1
16	7	22	1
17	8	23	1
18	8	24	1
19	9	10	1
20	10	11	1
21	10	25	1
22	10	26	1
23	11	12	1
24	11	27	1
25	11	28	1
26	12	14	1
27	12	29	1
28	12	30	1
29	14	15	1
30	14	31	1
31	14	32	1
32	15	16	1
33	15	33	1
34	15	34	1
35	16	17	1
36	16	35	1
37	16	36	1
38	17	37	1
39	17	38	1
40	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1