@<TRIPOS>MOLECULE
DB01025
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8608    -1.3104     0.0392	O.2	1	noname	-0.2905
2	C1     1.3195    -0.1863     0.1142	C.2	1	noname	0.0852
3	C2    -0.0779    -0.0746     0.2182	C.2	1	noname	0.0291
4	C3     2.1047     0.9891     0.0957	C.2	1	noname	0.0195
5	C4    -0.6851     1.2219     0.3499	C.2	1	noname	0.1132
6	C5    -0.9184    -1.2153     0.2016	C.2	1	noname	0.0585
7	C6     1.4597     2.2774     0.2841	C.2	1	noname	0.0353
8	C7     3.5073     0.9051    -0.1536	C.2	1	noname	-0.0103
9	O2     0.0973     2.3473     0.4105	O.3	1	noname	-0.1633
10	N1    -2.0455     1.3159     0.4535	N.2	1	noname	-0.2109
11	C8    -2.3213    -1.0780     0.3308	C.2	1	noname	0.0164
12	C9     2.2173     3.4922     0.2499	C.2	1	noname	-0.0095
13	C10     4.2316     2.1264    -0.2321	C.2	1	noname	-0.0471
14	C11    -2.8708     0.2234     0.4584	C.2	1	noname	0.0959
15	C12    -3.1451    -2.1976     0.3325	C.2	1	noname	0.0918
16	C13     3.6034     3.3839    -0.0422	C.2	1	noname	-0.0333
17	C14     5.6631     2.0848    -0.5163	C.3	1	noname	0.0093
18	N2    -4.1953     0.3834     0.5835	N.3	1	noname	-0.1027
19	O3    -2.7183    -3.2868     0.7728	O.2	1	noname	-0.2569
20	O4    -4.4060    -2.1085    -0.1414	O.3	1	noname	-0.2172
21	C15     5.8847     2.1445    -2.0290	C.3	1	noname	-0.0587
22	C16     6.2549     0.7860     0.0349	C.3	1	noname	-0.0587
23	H1    -0.4818    -2.2076     0.0884	H	1	noname	0.0641
24	H2     4.0064    -0.0558    -0.2793	H	1	noname	0.0634
25	H3     1.7566     4.4618     0.4390	H	1	noname	0.0650
26	H4     4.2018     4.2913    -0.1230	H	1	noname	0.0626
27	H5     6.1098     2.9502    -0.0268	H	1	noname	0.0346
28	H6    -4.5896     1.3120     0.6307	H	1	noname	0.1258
29	H7    -4.7994    -0.4247     0.6307	H	1	noname	0.1258
30	H8    -5.0219    -2.0650     0.5938	H	1	noname	0.2216
31	H9     5.9431     1.1318    -2.4279	H	1	noname	0.0236
32	H10     5.0538     2.6721    -2.4973	H	1	noname	0.0236
33	H11     6.8150     2.6721    -2.2393	H	1	noname	0.0236
34	H12     6.2419     0.8145     1.1245	H	1	noname	0.0236
35	H13     5.6623    -0.0599    -0.3135	H	1	noname	0.0236
36	H14     7.2821     0.6781    -0.3135	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	7	12	1
12	7	9	1
13	8	13	2
14	10	14	2
15	11	15	1
16	11	14	1
17	12	16	2
18	13	17	1
19	13	16	1
20	14	18	1
21	15	19	2
22	15	20	1
23	17	21	1
24	17	22	1
25	6	23	1
26	8	24	1
27	12	25	1
28	16	26	1
29	17	27	1
30	18	28	1
31	18	29	1
32	20	30	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1