@<TRIPOS>MOLECULE
71816170
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.3982     1.3175    -4.5768	S.3	1	noname	-0.1770
2	O1    -0.2480     1.2472    -3.7040	O.2	1	noname	-0.2901
3	O2    -1.6484     2.2276     0.1945	O.3	1	noname	-0.2136
4	O3    -3.8544     2.2848    -0.2558	O.2	1	noname	-0.2491
5	N1    -1.7743     0.5324    -2.2233	N.3	1	noname	-0.0653
6	N2     1.6399     0.0239    -1.8329	N.3	1	noname	-0.3203
7	N3     0.5726    -5.1939     1.8271	N.3	1	noname	-0.3304
8	C1    -0.1760    -1.4182    -1.2718	C.3	1	noname	-0.0294
9	C2     0.4271    -0.6199    -2.3351	C.3	1	noname	0.0789
10	C3     0.8163    -2.4881    -0.8119	C.3	1	noname	-0.0501
11	C4     0.1843    -3.3247     0.3024	C.3	1	noname	-0.0408
12	C5    -0.5652     0.4500    -2.7950	C.2	1	noname	0.0495
13	C6    -2.4281     1.7784    -2.1334	C.3	1	noname	0.1088
14	C7     1.1766    -4.3946     0.7623	C.3	1	noname	-0.0076
15	C8    -3.7002     1.7131    -2.8469	C.3	1	noname	0.0157
16	C9    -2.6849     2.1146    -0.6630	C.2	1	noname	0.1444
17	H1    -1.0802    -1.8982    -1.6461	H	1	noname	0.0287
18	H2    -0.4290    -0.7720    -0.4313	H	1	noname	0.0287
19	H3     0.6802    -1.2661    -3.1756	H	1	noname	0.0559
20	H4     1.0694    -3.1343    -1.6524	H	1	noname	0.0268
21	H5     1.7205    -2.0081    -0.4375	H	1	noname	0.0268
22	H6    -0.7199    -3.8046    -0.0720	H	1	noname	0.0279
23	H7    -0.0688    -2.6785     1.1429	H	1	noname	0.0279
24	H8    -1.8010     2.5508    -2.5786	H	1	noname	0.0586
25	H9     1.4296    -5.0408    -0.0782	H	1	noname	0.0425
26	H10     2.0808    -3.9146     1.1367	H	1	noname	0.0425
27	H11    -2.1998    -0.2651    -1.8714	H	1	noname	0.1319
28	H12     2.0621     0.5827    -2.5772	H	1	noname	0.1191
29	H13     1.4027     0.6298    -1.0449	H	1	noname	0.1191
30	H14    -4.3273     0.9407    -2.4017	H	1	noname	0.0399
31	H15    -4.2057     2.6763    -2.7774	H	1	noname	0.0399
32	H16     1.2355    -5.9086     2.1343	H	1	noname	0.1184
33	H17    -0.2751    -5.6440     1.4761	H	1	noname	0.1184
34	H18    -4.5831     1.2567    -5.2415	H	1	noname	0.1022
35	H19    -1.7694     2.0058     1.1414	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	15	1
2	1	34	1
3	2	12	2
4	3	16	1
5	3	35	1
6	4	16	2
7	5	12	1
8	13	5	1
9	5	27	1
10	9	6	1
11	6	28	1
12	6	29	1
13	7	14	1
14	7	32	1
15	7	33	1
16	8	9	1
17	8	10	1
18	8	17	1
19	8	18	1
20	9	12	1
21	9	19	1
22	10	11	1
23	10	20	1
24	10	21	1
25	11	14	1
26	11	22	1
27	11	23	1
28	13	15	1
29	13	16	1
30	13	24	1
31	14	25	1
32	14	26	1
33	15	30	1
34	15	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1