@<TRIPOS>MOLECULE
DB02921
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5506    -0.3106    -0.6558	O.2	1	noname	-0.2812
2	C1    -1.7580    -0.1773    -1.6131	C.2	1	noname	0.0248
3	N1    -0.3873    -0.0591    -1.3781	N.3	1	noname	0.0266
4	N2    -2.2318    -0.1463    -2.9046	N.3	1	noname	0.0787
5	C2     0.4548     0.0672    -2.4826	C.2	1	noname	-0.0438
6	C3     0.1272    -0.0363     0.0059	C.3	1	noname	0.0401
7	C4    -1.3869     0.0075    -3.9910	C.2	1	noname	0.0634
8	C5     0.0233     0.1233    -3.8312	C.2	1	noname	0.0422
9	C6     1.6264     0.2288     0.2771	C.3	1	noname	-0.0126
10	C7    -0.2637    -1.1376     1.0265	C.3	1	noname	-0.0069
11	C8     0.5982     1.3342     0.5471	C.3	1	noname	-0.0283
12	O2    -1.8746     0.0456    -5.1413	O.2	1	noname	-0.2888
13	C9     0.9414     0.2851    -4.9548	C.3	1	noname	-0.0339
14	C10     2.0737    -0.5834     1.5017	C.3	1	noname	0.0127
15	C11     0.8789    -1.3728     2.0366	C.3	1	noname	0.0612
16	C12     3.2403    -1.4791     1.0772	C.3	1	noname	0.0488
17	O3     0.5070    -0.7609     3.2699	O.3	1	noname	-0.3925
18	O4     3.6782    -2.2451     2.1898	O.3	1	noname	-0.3958
19	H1    -3.2256    -0.2388    -3.0592	H	1	noname	0.1418
20	H2     1.5238     0.1261    -2.2779	H	1	noname	0.0761
21	H3     2.5659     0.2162    -0.2755	H	1	noname	0.0327
22	H4    -1.1057    -0.7480     1.5986	H	1	noname	0.0312
23	H5    -0.3707    -2.0632     0.4609	H	1	noname	0.0312
24	H6     0.5888     2.1539    -0.1712	H	1	noname	0.0289
25	H7     0.3797     1.5274     1.5974	H	1	noname	0.0289
26	H8     1.2419    -0.6960    -5.3226	H	1	noname	0.0282
27	H9     0.4446     0.8360    -5.7534	H	1	noname	0.0282
28	H10     1.8230     0.8360    -4.6272	H	1	noname	0.0282
29	H11     2.4209     0.0537     2.3151	H	1	noname	0.0356
30	H12     1.0843    -2.4244     2.2369	H	1	noname	0.0604
31	H13     2.8643    -2.2040     0.3552	H	1	noname	0.0567
32	H14     4.0819    -0.8371     0.8171	H	1	noname	0.0567
33	H15     0.3114    -1.4412     3.9185	H	1	noname	0.2104
34	H16     3.5981    -3.1798     1.9863	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	6	3	1
6	4	7	1
7	5	8	2
8	6	9	1
9	6	10	1
10	6	11	1
11	7	12	2
12	7	8	1
13	8	13	1
14	9	14	1
15	9	11	1
16	10	15	1
17	14	16	1
18	14	15	1
19	15	17	1
20	16	18	1
21	4	19	1
22	5	20	1
23	9	21	1
24	10	22	1
25	10	23	1
26	11	24	1
27	11	25	1
28	13	26	1
29	13	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1