@<TRIPOS>MOLECULE
DB01458
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7494    -1.4400     0.0329	S.3	1	noname	-0.1055
2	C1     0.2611    -0.1207     0.5136	C.2	1	noname	0.0005
3	C2    -2.4076    -0.8309    -0.3126	C.3	1	noname	-0.0021
4	C3     0.9741     0.5930    -0.4426	C.2	1	noname	0.0043
5	C4     0.3601     0.2257     1.8561	C.2	1	noname	-0.0034
6	C5    -3.3013    -1.9977    -0.7377	C.3	1	noname	-0.0466
7	O1     0.8780     0.2566    -1.7465	O.3	1	noname	-0.2741
8	C6     1.7860     1.6530    -0.0564	C.2	1	noname	-0.0189
9	C7     1.1720     1.2858     2.2424	C.2	1	noname	-0.0114
10	C8    -4.7107    -1.4799    -1.0315	C.3	1	noname	-0.0646
11	C9     1.8759    -0.7030    -2.0626	C.3	1	noname	0.0423
12	C10     1.8850     1.9994     1.2861	C.2	1	noname	-0.0177
13	O2     1.2681     1.6222     3.5462	O.3	1	noname	-0.2785
14	C11     2.7378     3.1129     1.6917	C.3	1	noname	0.0259
15	C12     2.3334     0.8986     4.1445	C.3	1	noname	0.0423
16	C13     1.9241     4.4086     1.6814	C.3	1	noname	-0.0035
17	N1     2.7781     5.5235     2.0877	N.3	1	noname	-0.3301
18	H1    -2.8636    -0.4747     0.6111	H	1	noname	0.0383
19	H2    -2.3821    -0.1867    -1.1915	H	1	noname	0.0383
20	H3    -0.1990    -0.3339     2.6060	H	1	noname	0.0663
21	H4    -2.9014    -2.3734    -1.6796	H	1	noname	0.0272
22	H5    -3.3829    -2.6614     0.1231	H	1	noname	0.0272
23	H6     2.3451     2.2127    -0.8063	H	1	noname	0.0654
24	H7    -5.2306    -1.2889    -0.0927	H	1	noname	0.0231
25	H8    -4.6459    -0.5555    -1.6055	H	1	noname	0.0231
26	H9    -5.2597    -2.2263    -1.6055	H	1	noname	0.0231
27	H10     2.2961    -1.1070    -1.1416	H	1	noname	0.0535
28	H11     1.4319    -1.5107    -2.6444	H	1	noname	0.0535
29	H12     2.6656    -0.2277    -2.6444	H	1	noname	0.0535
30	H13     3.0229     2.9114     2.7243	H	1	noname	0.0330
31	H14     3.5043     3.1994     0.9217	H	1	noname	0.0330
32	H15     2.2479     0.9567     5.2296	H	1	noname	0.0535
33	H16     2.2850    -0.1444     3.8316	H	1	noname	0.0535
34	H17     3.2851     1.3280     3.8316	H	1	noname	0.0535
35	H18     1.6390     4.6095     0.6488	H	1	noname	0.0429
36	H19     1.1575     4.3215     2.4514	H	1	noname	0.0429
37	H20     3.7675     5.3768     2.2280	H	1	noname	0.1184
38	H21     2.3787     6.4405     2.2280	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	9	12	1
14	12	14	1
15	13	15	1
16	14	16	1
17	16	17	1
18	3	18	1
19	3	19	1
20	5	20	1
21	6	21	1
22	6	22	1
23	8	23	1
24	10	24	1
25	10	25	1
26	10	26	1
27	11	27	1
28	11	28	1
29	11	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
35	16	35	1
36	16	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1