@<TRIPOS>MOLECULE
DB07364
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.2729     4.3622     0.0649	O.3	1	noname	-0.2858
2	C1     5.2603     3.4738     0.1529	C.2	1	noname	-0.0022
3	C2     4.0164     3.7821    -0.3854	C.2	1	noname	-0.0263
4	C3     5.4616     2.2506     0.7817	C.2	1	noname	-0.0263
5	C4     2.9738     2.8673    -0.2949	C.2	1	noname	-0.0354
6	C5     4.4190     1.3358     0.8722	C.2	1	noname	-0.0354
7	C6     3.1751     1.6442     0.3339	C.2	1	noname	-0.0461
8	C7     2.1325     0.7294     0.4244	C.2	1	noname	-0.1042
9	N1     1.1402     0.6242    -0.4844	N.3	1	noname	-0.0358
10	C8     1.9882    -0.1898     1.4672	C.2	1	noname	0.0164
11	C9     0.3362    -0.3646    -0.0663	C.2	1	noname	0.0881
12	C10     0.8104    -0.8554     1.1583	C.2	1	noname	0.0474
13	C11     2.8694    -0.4002     2.6121	C.3	1	noname	0.0295
14	N2    -0.7978    -0.9061    -0.6108	N.2	1	noname	-0.2383
15	N3     0.1070    -1.8359     1.8092	N.2	1	noname	-0.2316
16	C12     2.4284     0.5008     3.7674	C.3	1	noname	-0.0493
17	C13    -1.4959    -1.9109     0.0112	C.2	1	noname	0.0208
18	C14    -1.0346    -2.3805     1.2792	C.2	1	noname	-0.0030
19	C15     3.3518     0.2803     4.9672	C.3	1	noname	-0.0558
20	C16     2.9109     1.1813     6.1225	C.3	1	noname	-0.0654
21	H1     6.5572     4.6117     0.9473	H	1	noname	0.2181
22	H2     3.8586     4.7413    -0.8785	H	1	noname	0.0650
23	H3     6.4370     2.0087     1.2038	H	1	noname	0.0650
24	H4     1.9984     3.1092    -0.7170	H	1	noname	0.0630
25	H5     4.5768     0.3766     1.3653	H	1	noname	0.0630
26	H6     1.0218     1.1802    -1.3193	H	1	noname	0.1543
27	H7     2.7153    -1.4334     2.9231	H	1	noname	0.0317
28	H8     3.8579    -0.0683     2.2946	H	1	noname	0.0317
29	H9     2.5789     1.5294     3.4394	H	1	noname	0.0270
30	H10     1.4362     0.1642     4.0679	H	1	noname	0.0270
31	H11    -2.3790    -2.3185    -0.4807	H	1	noname	0.0856
32	H12    -1.5544    -3.1552     1.8429	H	1	noname	0.0856
33	H13     3.2014    -0.7482     5.2952	H	1	noname	0.0264
34	H14     4.3440     0.6169     4.6667	H	1	noname	0.0264
35	H15     2.5903     0.5647     6.9623	H	1	noname	0.0230
36	H16     3.7455     1.8106     6.4316	H	1	noname	0.0230
37	H17     2.0826     1.8106     5.7968	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	11	12	2
16	12	15	1
17	13	16	1
18	14	17	2
19	15	18	2
20	16	19	1
21	17	18	1
22	19	20	1
23	1	21	1
24	3	22	1
25	4	23	1
26	5	24	1
27	6	25	1
28	9	26	1
29	13	27	1
30	13	28	1
31	16	29	1
32	16	30	1
33	17	31	1
34	18	32	1
35	19	33	1
36	19	34	1
37	20	35	1
38	20	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1