@<TRIPOS>MOLECULE
DB03416
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.5594    -0.0607     0.6756	S.3	1	noname	-0.2012
2	C1     2.0892     0.1329    -0.1825	C.2	1	noname	0.0796
3	C2    -0.1829     1.5441     0.5418	C.2	1	noname	0.1607
4	C3     1.9438     1.4950    -0.5086	C.2	1	noname	0.1826
5	C4     3.1626    -0.8158    -0.4642	C.3	1	noname	0.0113
6	N1     0.8154     2.1876    -0.1281	N.2	1	noname	-0.0189
7	C5     2.9962     2.1780    -1.2552	C.3	1	noname	0.0879
8	C6     3.7316    -1.3479     0.8526	C.3	1	noname	0.0568
9	C7     0.7134     3.5870    -0.3903	C.3	1	noname	0.1779
10	O1     4.7756    -2.2706     0.5787	O.3	1	noname	-0.2459
11	C8     1.3017     4.4177     0.6855	C.2	1	noname	0.0071
12	P1     5.3483    -2.8062     1.9041	P	1	noname	-0.1261
13	C9     2.4098     5.2622     0.4458	C.2	1	noname	0.0621
14	C10     0.8327     4.3820     2.0243	C.2	1	noname	0.0345
15	O2     6.4070    -3.7420     1.6262	O.2	1	noname	-0.3255
16	O3     4.2332    -3.5132     2.6967	O.3	1	noname	-0.3540
17	O4     5.9040    -1.6341     2.7341	O.3	1	noname	-0.3255
18	N2     2.9856     5.9805     1.4769	N.2	1	noname	-0.2427
19	N3     2.9072     5.3674    -0.7940	N.3	1	noname	-0.1112
20	N4     1.4359     5.0980     3.0242	N.2	1	noname	-0.2660
21	C11     2.5137     5.8993     2.7572	C.2	1	noname	0.0601
22	C12     3.1519     6.6588     3.8284	C.3	1	noname	0.0662
23	H1    -1.1041     2.0530     0.8255	H	1	noname	0.1392
24	H2     2.6946    -1.6526    -0.9826	H	1	noname	0.0350
25	H3     3.9489    -0.2419    -0.9545	H	1	noname	0.0350
26	H4     3.6989     2.6340    -0.5578	H	1	noname	0.0337
27	H5     3.5222     1.4584    -1.8825	H	1	noname	0.0337
28	H6     2.5532     2.9515    -1.8825	H	1	noname	0.0337
29	H7     4.2070    -0.5177     1.3750	H	1	noname	0.0571
30	H8     2.9527    -1.9285     1.3470	H	1	noname	0.0571
31	H9     1.3145     3.7581    -1.2833	H	1	noname	0.0973
32	H10    -0.3553     3.8012    -0.4034	H	1	noname	0.0973
33	H11    -0.0314     3.7763     2.2976	H	1	noname	0.0846
34	H12     4.3949    -3.4107     3.6374	H	1	noname	0.1815
35	H13     2.2829     5.4071    -1.5869	H	1	noname	0.1258
36	H14     3.9065     5.4071    -0.9355	H	1	noname	0.1258
37	H15     3.5844     5.9701     4.5542	H	1	noname	0.0312
38	H16     3.9385     7.2866     3.4098	H	1	noname	0.0312
39	H17     2.4094     7.2866     4.3209	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	6	1
8	5	8	1
9	6	9	1
10	8	10	1
11	9	11	1
12	12	10	1
13	11	13	2
14	11	14	1
15	12	15	2
16	12	16	1
17	12	17	1
18	13	18	1
19	13	19	1
20	14	20	2
21	18	21	2
22	20	21	1
23	21	22	1
24	3	23	1
25	5	24	1
26	5	25	1
27	7	26	1
28	7	27	1
29	7	28	1
30	8	29	1
31	8	30	1
32	9	31	1
33	9	32	1
34	14	33	1
35	16	34	1
36	19	35	1
37	19	36	1
38	22	37	1
39	22	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1