@<TRIPOS>MOLECULE
55232737
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.9633    -1.1755    -4.2328	O.2	1	noname	-0.2963
2	O2     1.7079     1.9932     3.2779	O.3	1	noname	-0.2747
3	N1    -1.1179    -0.4612     0.1136	N.3	1	noname	-0.1370
4	N2    -1.8817    -1.6630    -2.3287	N.3	1	noname	-0.0694
5	N3     0.8111     4.3593     2.1654	N.3	1	noname	-0.1492
6	C1    -0.2113    -1.4927    -0.4084	C.3	1	noname	0.0164
7	C2    -2.5546    -0.7073    -0.0340	C.3	1	noname	0.0164
8	C3    -0.7104    -2.3095    -1.6393	C.3	1	noname	0.0190
9	C4    -2.9238    -0.9648    -1.5176	C.3	1	noname	0.0190
10	C5    -0.6382     0.7435     0.6568	C.2	1	noname	-0.0569
11	C6    -1.9892    -1.7135    -3.6635	C.2	1	noname	0.0410
12	C7     0.3138     0.7505     1.7423	C.2	1	noname	-0.0410
13	C8    -1.0852     2.0022     0.1061	C.2	1	noname	-0.0795
14	C9     0.8154     1.9805     2.2650	C.2	1	noname	-0.0176
15	C10    -0.9686    -2.3969    -4.4527	C.3	1	noname	0.0097
16	C11    -0.5998     3.2416     0.6141	C.2	1	noname	-0.0630
17	C12     0.3436     3.2000     1.6827	C.2	1	noname	-0.0391
18	C13     3.0252     1.9640     2.7485	C.3	1	noname	0.0424
19	H1     0.0617    -2.1768     0.3951	H	1	noname	0.0448
20	H2     0.7094    -0.9673    -0.6619	H	1	noname	0.0448
21	H3    -2.8388    -1.5716     0.5664	H	1	noname	0.0448
22	H4    -3.1302     0.1426     0.3328	H	1	noname	0.0448
23	H5    -0.9859    -3.3148    -1.3208	H	1	noname	0.0449
24	H6     0.0921    -2.4958    -2.3530	H	1	noname	0.0449
25	H7    -3.8582    -1.5238    -1.5677	H	1	noname	0.0449
26	H8    -3.1175    -0.0223    -2.0296	H	1	noname	0.0449
27	H9     0.6315    -0.1334     2.1401	H	1	noname	0.0667
28	H10    -1.7596     2.0034    -0.6591	H	1	noname	0.0639
29	H11    -1.4278    -3.2106    -5.0141	H	1	noname	0.0324
30	H12    -0.5114    -1.6903    -5.1454	H	1	noname	0.0324
31	H13    -0.2046    -2.8000    -3.7879	H	1	noname	0.0324
32	H14    -0.9168     4.1300     0.2259	H	1	noname	0.0640
33	H15     0.4087     5.0970     1.6809	H	1	noname	0.1243
34	H16     0.5884     4.4309     3.1068	H	1	noname	0.1243
35	H17     3.7457     1.9743     3.5663	H	1	noname	0.0535
36	H18     3.1592     1.0580     2.1575	H	1	noname	0.0535
37	H19     3.1817     2.8373     2.1153	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	2
2	2	14	1
3	2	18	1
4	3	6	1
5	3	7	1
6	3	10	1
7	4	8	1
8	4	9	1
9	4	11	1
10	5	17	1
11	5	33	1
12	5	34	1
13	6	8	1
14	6	19	1
15	6	20	1
16	7	9	1
17	7	21	1
18	7	22	1
19	8	23	1
20	8	24	1
21	9	25	1
22	9	26	1
23	10	12	2
24	10	13	1
25	11	15	1
26	12	14	1
27	12	27	1
28	13	16	2
29	13	28	1
30	14	17	2
31	15	29	1
32	15	30	1
33	15	31	1
34	16	17	1
35	16	32	1
36	18	35	1
37	18	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1