@<TRIPOS>MOLECULE
56693941
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2664    -4.4416    -0.1200	O.3	1	noname	-0.2774
2	O2    -1.5229     1.5882     0.1524	O.2	1	noname	-0.2670
3	N1     0.0454    -0.0885    -0.0616	N.3	1	noname	-0.1230
4	N2     0.7477     1.9648     0.0239	N.3	1	noname	0.0304
5	C1    -0.7659    -1.1549    -0.0759	C.2	1	noname	-0.0289
6	C2     1.8311     1.1908    -0.0991	C.2	1	noname	-0.0582
7	C3     1.3782    -0.1204    -0.1533	C.2	1	noname	-0.0052
8	C4    -0.3431     1.1889     0.0471	C.2	1	noname	0.0693
9	C5    -2.1413    -0.9832     0.0278	C.2	1	noname	-0.0188
10	C6    -0.2320    -2.4328    -0.1944	C.2	1	noname	-0.0188
11	C7     3.2196     1.6375    -0.1636	C.3	1	noname	-0.0282
12	C8    -2.9829    -2.0893     0.0129	C.2	1	noname	-0.0209
13	C9    -1.0736    -3.5390    -0.2093	C.2	1	noname	-0.0209
14	C10    -2.4491    -3.3672    -0.1056	C.2	1	noname	0.0046
15	C11    -3.4633    -4.9044     1.2079	C.3	1	noname	0.0423
16	H1     1.9568    -0.9553    -0.2462	H	1	noname	0.0774
17	H2     0.7514     2.9328     0.0862	H	1	noname	0.1382
18	H3    -2.5331    -0.0454     0.1148	H	1	noname	0.0640
19	H4     0.7773    -2.5588    -0.2705	H	1	noname	0.0640
20	H5     3.4697     2.1794     0.7484	H	1	noname	0.0290
21	H6     3.3504     2.2940    -1.0239	H	1	noname	0.0290
22	H7     3.8753     0.7725    -0.2637	H	1	noname	0.0290
23	H8    -3.9922    -1.9633     0.0890	H	1	noname	0.0650
24	H9    -0.6819    -4.4767    -0.2963	H	1	noname	0.0650
25	H10    -4.1232    -5.7718     1.1962	H	1	noname	0.0535
26	H11    -3.9147    -4.1125     1.8055	H	1	noname	0.0535
27	H12    -2.5031    -5.1842     1.6412	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	14	1
2	1	15	1
3	2	8	2
4	3	5	1
5	3	7	1
6	3	8	1
7	4	6	1
8	4	8	1
9	4	17	1
10	5	9	2
11	5	10	1
12	6	7	2
13	6	11	1
14	7	16	1
15	9	12	1
16	9	18	1
17	10	13	2
18	10	19	1
19	11	20	1
20	11	21	1
21	11	22	1
22	12	14	2
23	12	23	1
24	13	14	1
25	13	24	1
26	15	25	1
27	15	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1