@<TRIPOS>MOLECULE
56950369
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0306    -1.1722    -0.1806	O.3	1	noname	-0.1448
2	O2    -2.0566     1.0266     0.5223	O.2	1	noname	-0.2831
3	O3     2.2790    -3.3465     0.6008	O.2	1	noname	-0.2556
4	O4     1.6606     3.4453    -0.5418	O.2	1	noname	-0.2807
5	N1     1.8371     1.1618    -0.3617	N.3	1	noname	0.0557
6	N2    -0.2221     2.2432    -0.0051	N.3	1	noname	0.0830
7	C1    -4.8837    -3.1177    -0.5881	C.3	1	noname	-0.0325
8	C2    -6.3680    -3.2543    -0.2429	C.3	1	noname	-0.0473
9	C3    -5.9143    -2.2175    -1.2726	C.3	1	noname	-0.0473
10	C4    -4.1736    -2.3320     0.5161	C.3	1	noname	-0.0475
11	C5    -4.2008    -4.0341    -1.6053	C.3	1	noname	-0.0596
12	C6    -2.6893    -2.1954     0.1709	C.3	1	noname	-0.0487
13	C7    -1.9791    -1.4096     1.2751	C.3	1	noname	-0.0267
14	C8    -0.5628    -1.2793     0.9457	C.2	1	noname	0.0454
15	C9    -0.1187    -0.1896     0.2057	C.2	1	noname	0.0673
16	C10     0.3417    -2.2448     1.3721	C.2	1	noname	0.0788
17	C11     1.2647    -0.0623    -0.1160	C.2	1	noname	0.0124
18	C12    -0.8372     1.0415     0.2481	C.2	1	noname	0.0797
19	C13     1.5924    -2.3021     0.5910	C.2	1	noname	0.1166
20	C14     1.1202     2.3412    -0.3147	C.2	1	noname	0.0324
21	H1    -6.1134    -2.5915    -2.2768	H	1	noname	0.0272
22	H2    -5.9511    -1.1727    -0.9643	H	1	noname	0.0272
23	H3    -6.7826    -4.1207    -0.7582	H	1	noname	0.0272
24	H4    -6.8296    -2.7151     0.5843	H	1	noname	0.0272
25	H5    -4.6195    -1.3410     0.6011	H	1	noname	0.0272
26	H6    -4.2792    -2.8604     1.4635	H	1	noname	0.0272
27	H7    -3.1497    -3.7594    -1.6937	H	1	noname	0.0236
28	H8    -4.6872    -3.9269    -2.5749	H	1	noname	0.0236
29	H9    -4.2791    -5.0690    -1.2721	H	1	noname	0.0236
30	H10    -2.5837    -1.6669    -0.7765	H	1	noname	0.0270
31	H11    -2.2434    -3.1863     0.0858	H	1	noname	0.0270
32	H12    -2.4251    -0.4186     1.3602	H	1	noname	0.0316
33	H13    -2.0847    -1.9381     2.2225	H	1	noname	0.0316
34	H14     0.1559    -2.8638     2.1613	H	1	noname	0.0689
35	H15     2.7823     1.1994    -0.5767	H	1	noname	0.1405
36	H16    -0.7514     3.0551     0.0353	H	1	noname	0.1418
@<TRIPOS>BOND
1	1	17	1
2	1	19	1
3	2	18	2
4	3	19	2
5	4	20	2
6	5	17	1
7	5	20	1
8	5	35	1
9	6	18	1
10	6	20	1
11	6	36	1
12	7	8	1
13	7	9	1
14	7	10	1
15	7	11	1
16	8	9	1
17	8	23	1
18	8	24	1
19	9	21	1
20	9	22	1
21	10	12	1
22	10	25	1
23	10	26	1
24	11	27	1
25	11	28	1
26	11	29	1
27	12	13	1
28	12	30	1
29	12	31	1
30	13	14	1
31	13	32	1
32	13	33	1
33	14	15	1
34	14	16	2
35	15	17	2
36	15	18	1
37	16	19	1
38	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1