@<TRIPOS>MOLECULE
72941598
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1528    -3.1720     2.8797	O.3	1	noname	-0.2632
2	O2    -2.3017    -1.4543     0.4849	O.3	1	noname	-0.3892
3	O3    -1.3832    -5.4554     3.7629	O.3	1	noname	-0.2673
4	N1    -0.9590    -3.2496    -1.2542	N.3	1	noname	-0.3118
5	C1    -1.0785    -3.5077     0.1799	C.3	1	noname	0.0239
6	C2    -1.1647    -2.1781     0.9319	C.3	1	noname	0.0904
7	C3    -0.8766    -4.5201    -1.9728	C.3	1	noname	0.0012
8	C4    -1.2897    -2.4482     2.4327	C.3	1	noname	0.0807
9	C5    -0.7515    -4.2500    -3.4736	C.3	1	noname	-0.0500
10	C6     0.3485    -5.3000    -1.4912	C.3	1	noname	-0.0500
11	C7    -0.2631    -3.4104     4.2039	C.2	1	noname	0.0247
12	C8    -0.8873    -4.5687     4.6520	C.2	1	noname	0.0250
13	C9     0.2475    -2.4974     5.1193	C.2	1	noname	-0.0224
14	C10    -1.0009    -4.8141     6.0154	C.2	1	noname	-0.0228
15	C11     0.1339    -2.7428     6.4828	C.2	1	noname	-0.0640
16	C12    -0.4903    -3.9012     6.9308	C.2	1	noname	-0.0637
17	C13    -0.3814    -6.4065     3.4339	C.3	1	noname	0.0424
18	H1    -1.9789    -4.0918     0.3701	H	1	noname	0.0455
19	H2    -0.2057    -4.0633     0.5230	H	1	noname	0.0455
20	H3    -0.2643    -1.5940     0.7417	H	1	noname	0.0638
21	H4    -1.7770    -5.1042    -1.7826	H	1	noname	0.0459
22	H5    -1.7773    -2.7287    -1.5759	H	1	noname	0.1225
23	H6    -2.1901    -3.0323     2.6230	H	1	noname	0.0599
24	H7    -1.3512    -1.5010     2.9685	H	1	noname	0.0599
25	H8    -0.6901    -5.1973    -4.0094	H	1	noname	0.0246
26	H9     0.4099    -6.2472    -2.0270	H	1	noname	0.0246
27	H10     0.2594    -5.4924    -0.4220	H	1	noname	0.0246
28	H11     1.2489    -4.7159    -1.6814	H	1	noname	0.0246
29	H12    -1.6243    -3.6944    -3.8167	H	1	noname	0.0246
30	H13     0.1489    -3.6659    -3.6638	H	1	noname	0.0246
31	H14    -2.3569    -0.6027     0.9666	H	1	noname	0.2106
32	H15     0.7055    -1.6474     4.7906	H	1	noname	0.0651
33	H16    -1.4590    -5.6641     6.3442	H	1	noname	0.0651
34	H17     0.5086    -2.0729     7.1545	H	1	noname	0.0623
35	H18    -0.5737    -4.0812     7.9313	H	1	noname	0.0623
36	H19    -0.7818    -7.1223     2.7161	H	1	noname	0.0535
37	H20    -0.0695    -6.9324     4.3362	H	1	noname	0.0535
38	H21     0.4760    -5.8946     2.9969	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	6	2	1
4	2	31	1
5	3	12	1
6	3	17	1
7	4	5	1
8	4	7	1
9	4	22	1
10	5	6	1
11	5	18	1
12	5	19	1
13	6	8	1
14	6	20	1
15	7	9	1
16	7	10	1
17	7	21	1
18	8	23	1
19	8	24	1
20	9	25	1
21	9	29	1
22	9	30	1
23	10	26	1
24	10	27	1
25	10	28	1
26	11	12	1
27	11	13	2
28	12	14	2
29	13	15	1
30	13	32	1
31	14	16	1
32	14	33	1
33	15	16	2
34	15	34	1
35	16	35	1
36	17	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1