@<TRIPOS>MOLECULE
57368089
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7945    -1.1567     0.1584	O.3	1	noname	-0.3870
2	O2     0.5393    -6.3981     2.5327	O.3	1	noname	-0.2865
3	N1    -0.9753    -0.8046    -2.5352	N.3	1	noname	-0.3091
4	C1    -1.0848    -1.1113    -3.9605	C.3	1	noname	0.0099
5	C2    -0.6851    -2.0308    -1.7938	C.3	1	noname	0.0260
6	C3    -0.5704    -1.7098    -0.3022	C.3	1	noname	0.0916
7	C4    -1.3885     0.1719    -4.7364	C.3	1	noname	-0.0474
8	C5    -2.2146    -2.1195    -4.1799	C.3	1	noname	-0.0474
9	C6     0.2341    -1.7073    -4.4567	C.3	1	noname	-0.0474
10	C7    -0.2806    -2.9343     0.4382	C.2	1	noname	-0.0563
11	C8    -1.1699    -4.0015     0.3918	C.2	1	noname	-0.0463
12	C9     0.8847    -3.0328     1.1896	C.2	1	noname	-0.0498
13	C10    -0.8940    -5.1673     1.0967	C.2	1	noname	-0.0274
14	C11     1.1606    -4.1986     1.8945	C.2	1	noname	-0.0315
15	C12     0.2713    -5.2658     1.8481	C.2	1	noname	-0.0094
16	C13    -1.8281    -6.2883     1.0479	C.3	1	noname	0.0093
17	H1    -0.2206    -0.1312    -2.3887	H	1	noname	0.1228
18	H2    -1.4899    -2.7490    -1.9501	H	1	noname	0.0458
19	H3     0.2545    -2.4553    -2.1473	H	1	noname	0.0458
20	H4     0.2344    -0.9916    -0.1459	H	1	noname	0.0665
21	H5    -1.4702    -0.0568    -5.7990	H	1	noname	0.0249
22	H6    -2.3281     0.5965    -4.3829	H	1	noname	0.0249
23	H7    -0.5837     0.8901    -4.5801	H	1	noname	0.0249
24	H8    -2.2962    -2.3481    -5.2425	H	1	noname	0.0249
25	H9    -3.1542    -1.6949    -3.8263	H	1	noname	0.0249
26	H10    -1.9982    -3.0336    -3.6271	H	1	noname	0.0249
27	H11     0.1524    -1.9359    -5.5193	H	1	noname	0.0249
28	H12     0.4505    -2.6214    -3.9039	H	1	noname	0.0249
29	H13     1.0389    -0.9890    -4.3004	H	1	noname	0.0249
30	H14    -2.0250    -3.9293    -0.1596	H	1	noname	0.0630
31	H15     1.5372    -2.2496     1.2237	H	1	noname	0.0627
32	H16    -1.7211    -0.9511     1.1137	H	1	noname	0.2109
33	H17     2.0157    -4.2708     2.4459	H	1	noname	0.0650
34	H18    -2.7971    -5.9709     1.4330	H	1	noname	0.0280
35	H19    -1.9391    -6.6241     0.0169	H	1	noname	0.0280
36	H20    -1.4454    -7.1070     1.6574	H	1	noname	0.0280
37	H21     1.3926    -6.3002     3.0046	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	6	1
2	1	32	1
3	2	15	1
4	2	37	1
5	3	4	1
6	3	5	1
7	3	17	1
8	4	7	1
9	4	8	1
10	4	9	1
11	5	6	1
12	5	18	1
13	5	19	1
14	6	10	1
15	6	20	1
16	7	21	1
17	7	22	1
18	7	23	1
19	8	24	1
20	8	25	1
21	8	26	1
22	9	27	1
23	9	28	1
24	9	29	1
25	10	11	2
26	10	12	1
27	11	13	1
28	11	30	1
29	12	14	2
30	12	31	1
31	13	15	2
32	13	16	1
33	14	15	1
34	14	33	1
35	16	34	1
36	16	35	1
37	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1