@<TRIPOS>MOLECULE
DB01634
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5009    -2.0363    -0.0776	O.2	1	noname	-0.2953
2	C1     0.1067    -0.8883    -0.3761	C.2	1	noname	0.1136
3	C2     0.3097     0.2619     0.5185	C.2	1	noname	0.0692
4	C3    -0.6331    -0.5895    -1.7257	C.3	1	noname	0.0437
5	C4    -0.0681     1.5100     0.1868	C.2	1	noname	-0.0092
6	C5    -0.9840     0.8114    -1.8909	C.2	1	noname	-0.0301
7	C6     0.3180    -0.9065    -2.8912	C.3	1	noname	-0.0147
8	O2     0.1568     2.4961     1.0350	O.3	1	noname	-0.2828
9	C7    -0.6803     1.7848    -1.0085	C.2	1	noname	-0.0629
10	C8     0.7197    -2.3817    -2.8350	C.3	1	noname	0.0922
11	N1    -0.9798     2.9807    -1.4367	N.3	1	noname	-0.0909
12	N2     1.6241    -2.6831    -3.9433	N.3	1	noname	-0.3194
13	C9    -0.4742    -3.2155    -2.9405	C.2	1	noname	0.1437
14	N3    -0.2161     4.0130    -1.3528	N.3	1	noname	-0.0675
15	O3    -0.7683    -4.0057    -2.0177	O.2	1	noname	-0.2496
16	O4    -1.2605    -3.1331    -4.0348	O.3	1	noname	-0.2140
17	C10    -0.6396     5.2584    -1.6695	C.2	1	noname	0.0298
18	N4     0.3385     6.2259    -1.7384	N.2	1	noname	-0.2599
19	C11    -2.0109     5.6156    -1.8967	C.2	1	noname	-0.0285
20	C12     0.1256     7.5586    -2.0123	C.2	1	noname	-0.0064
21	C13    -2.2607     6.9932    -2.1802	C.2	1	noname	-0.0440
22	C14    -1.2256     7.9668    -2.2421	C.2	1	noname	-0.0568
23	H1     0.7751     0.1835     1.5010	H	1	noname	0.0688
24	H2    -1.5735    -1.1405    -1.7389	H	1	noname	0.0431
25	H3    -1.5298     1.1680    -2.7645	H	1	noname	0.0601
26	H4    -0.2524    -0.7720    -3.8103	H	1	noname	0.0298
27	H5     1.2266    -0.3280    -2.7241	H	1	noname	0.0298
28	H6     0.0820     2.1681     1.9341	H	1	noname	0.2182
29	H7     1.2267    -2.6313    -1.9029	H	1	noname	0.0571
30	H8    -1.8811     3.1193    -1.8708	H	1	noname	0.1480
31	H9     1.2589    -2.7873    -4.8792	H	1	noname	0.1191
32	H10     2.6142    -2.7873    -3.7732	H	1	noname	0.1191
33	H11     0.7274     3.8436    -1.0345	H	1	noname	0.1494
34	H12    -1.4791    -4.0169    -4.3391	H	1	noname	0.2213
35	H13    -2.8166     4.8826    -1.8562	H	1	noname	0.0656
36	H14     0.9713     8.2454    -2.0451	H	1	noname	0.0839
37	H15    -3.2867     7.3158    -2.3572	H	1	noname	0.0624
38	H16    -1.4636     9.0076    -2.4617	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	9	2
10	7	10	1
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	13	15	2
16	13	16	1
17	14	17	1
18	17	18	2
19	17	19	1
20	18	20	1
21	19	21	2
22	20	22	2
23	21	22	1
24	3	23	1
25	4	24	1
26	6	25	1
27	7	26	1
28	7	27	1
29	8	28	1
30	10	29	1
31	11	30	1
32	12	31	1
33	12	32	1
34	14	33	1
35	16	34	1
36	19	35	1
37	20	36	1
38	21	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1