@<TRIPOS>MOLECULE
72941605
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7804    -2.7837    -1.9430	O.3	1	noname	-0.3916
2	O2    -3.9901     1.1780     4.8250	O.3	1	noname	-0.2140
3	O3    -2.2186     1.4543     3.4619	O.2	1	noname	-0.2496
4	N1     0.7021    -1.0038    -0.9723	N.3	1	noname	-0.3141
5	N2    -5.3397     1.7130     2.2904	N.3	1	noname	-0.3194
6	N3     4.6221     0.9521    -3.6983	N.3	1	noname	-0.3303
7	C1    -1.3033    -0.0821     0.0759	C.3	1	noname	-0.0406
8	C2    -2.1773    -0.1369     1.3305	C.3	1	noname	-0.0501
9	C3    -0.1331    -1.0561     0.2266	C.3	1	noname	-0.0047
10	C4    -3.3475     0.8371     1.1798	C.3	1	noname	-0.0283
11	C5     2.6943    -1.8797    -2.0829	C.3	1	noname	0.0677
12	C6     1.8203    -1.9345    -0.8283	C.3	1	noname	0.0214
13	C7     3.2332    -0.4597    -2.2674	C.3	1	noname	-0.0134
14	C8    -4.2215     0.7823     2.4344	C.3	1	noname	0.0912
15	C9     4.1072    -0.4048    -3.5220	C.3	1	noname	-0.0051
16	C10    -3.4246     1.1555     3.5993	C.2	1	noname	0.1437
17	H1    -1.8983    -0.3608    -0.7939	H	1	noname	0.0279
18	H2    -0.9194     0.9295    -0.0556	H	1	noname	0.0279
19	H3    -2.5612    -1.1486     1.4619	H	1	noname	0.0268
20	H4    -1.5823     0.1417     2.2002	H	1	noname	0.0268
21	H5    -0.5170    -2.0678     0.3580	H	1	noname	0.0427
22	H6     0.4619    -0.7775     1.0963	H	1	noname	0.0427
23	H7    -3.9425     0.5584     0.3100	H	1	noname	0.0288
24	H8    -2.9636     1.8487     1.0483	H	1	noname	0.0288
25	H9     2.0993    -2.1583    -2.9526	H	1	noname	0.0614
26	H10     1.4364    -2.9461    -0.6969	H	1	noname	0.0454
27	H11     2.4153    -1.6558     0.0414	H	1	noname	0.0454
28	H12     0.1442    -1.2650    -1.7878	H	1	noname	0.1223
29	H13     2.3995     0.2343    -2.3747	H	1	noname	0.0306
30	H14     3.8282    -0.1810    -1.3976	H	1	noname	0.0306
31	H15    -4.6054    -0.2294     2.5658	H	1	noname	0.0571
32	H16     3.5122    -0.6835    -4.3917	H	1	noname	0.0426
33	H17     4.9409    -1.0987    -3.4146	H	1	noname	0.0426
34	H18     3.4352    -3.6932    -1.8249	H	1	noname	0.2104
35	H19    -5.8976     1.4517     1.4749	H	1	noname	0.1191
36	H20    -5.9235     1.6764     3.1284	H	1	noname	0.1191
37	H21     5.2059     0.9887    -4.5363	H	1	noname	0.1184
38	H22     3.8404     1.6027    -3.7989	H	1	noname	0.1184
39	H23    -3.4471     0.9894     5.6187	H	1	noname	0.2213
@<TRIPOS>BOND
1	11	1	1
2	1	34	1
3	2	16	1
4	2	39	1
5	3	16	2
6	4	9	1
7	4	12	1
8	4	28	1
9	14	5	1
10	5	35	1
11	5	36	1
12	6	15	1
13	6	37	1
14	6	38	1
15	7	8	1
16	7	9	1
17	7	17	1
18	7	18	1
19	8	10	1
20	8	19	1
21	8	20	1
22	9	21	1
23	9	22	1
24	10	14	1
25	10	23	1
26	10	24	1
27	11	12	1
28	11	13	1
29	11	25	1
30	12	26	1
31	12	27	1
32	13	15	1
33	13	29	1
34	13	30	1
35	14	16	1
36	14	31	1
37	15	32	1
38	15	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1