@<TRIPOS>MOLECULE
DB07035
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.3321    -0.6387    -1.8246	I	1	noname	-0.0359
2	C1    -0.1835     0.2306    -0.3660	C.2	1	noname	0.1025
3	C2     1.2002    -0.1173    -0.2105	C.2	1	noname	0.0698
4	C3    -0.7401     1.2054     0.5298	C.2	1	noname	0.0387
5	O1     1.7320    -0.9602    -0.9650	O.2	1	noname	-0.2842
6	N1     1.9374     0.4971     0.7905	N.3	1	noname	0.0176
7	O2    -2.0398     1.5469     0.4007	O.3	1	noname	-0.1985
8	C4     0.0444     1.8272     1.5583	C.2	1	noname	0.0090
9	C5     1.4199     1.4436     1.6695	C.2	1	noname	-0.0623
10	C6    -2.1489     2.5888    -0.4507	C.2	1	noname	0.0070
11	C7    -0.5392     2.8162     2.4598	C.3	1	noname	-0.0268
12	C8     2.2707     2.0398     2.6953	C.3	1	noname	-0.0289
13	C9    -3.3998     3.1198    -0.7427	C.2	1	noname	-0.0119
14	C10    -1.0102     3.1307    -1.0354	C.2	1	noname	-0.0228
15	C11    -1.1105     2.1099     3.6909	C.3	1	noname	-0.0611
16	C12    -3.5121     4.1926    -1.6194	C.2	1	noname	-0.0328
17	C13    -1.1224     4.2035    -1.9120	C.2	1	noname	-0.0471
18	C14    -2.3734     4.7345    -2.2041	C.2	1	noname	-0.0557
19	C15    -4.7361     4.7121    -1.9051	C.2	1	noname	-0.0157
20	C16    -5.8122     3.9309    -1.8808	C.2	1	noname	0.0208
21	C17    -6.9480     4.4129    -2.1459	C.1	1	noname	0.0560
22	N2    -7.9812     4.8514    -2.3871	N.1	1	noname	-0.1882
23	H1     2.9095     0.2398     0.8849	H	1	noname	0.1371
24	H2     0.2880     3.4424     2.7938	H	1	noname	0.0314
25	H3    -1.3743     3.2600     1.9177	H	1	noname	0.0314
26	H4     1.8912     1.7738     3.6818	H	1	noname	0.0290
27	H5     3.2889     1.6665     2.5849	H	1	noname	0.0290
28	H6     2.2674     3.1242     2.5849	H	1	noname	0.0290
29	H7    -4.2928     2.6948    -0.2843	H	1	noname	0.0656
30	H8    -0.0292     2.7144    -0.8064	H	1	noname	0.0650
31	H9    -1.0465     1.0306     3.5529	H	1	noname	0.0234
32	H10    -0.5388     2.3980     4.5730	H	1	noname	0.0234
33	H11    -2.1534     2.3980     3.8238	H	1	noname	0.0234
34	H12    -0.2295     4.6285    -2.3705	H	1	noname	0.0623
35	H13    -2.4614     5.5757    -2.8915	H	1	noname	0.0628
36	H14    -4.8559     5.7659    -2.1564	H	1	noname	0.0636
37	H15    -5.7621     2.8696    -1.6376	H	1	noname	0.0742
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	8	9	2
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	13	16	1
17	14	17	2
18	16	18	2
19	16	19	1
20	17	18	1
21	19	20	2
22	20	21	1
23	21	22	3
24	6	23	1
25	11	24	1
26	11	25	1
27	12	26	1
28	12	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	15	33	1
35	17	34	1
36	18	35	1
37	19	36	1
38	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1