@<TRIPOS>MOLECULE
DB00974
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1445     0.0855    -3.9731	O.2	1	noname	-0.2507
2	C1     4.6055    -0.4160    -2.9250	C.2	1	noname	0.1422
3	O2     5.9142    -0.2717    -2.6266	O.3	1	noname	-0.2148
4	C2     3.7287    -1.1578    -2.0236	C.3	1	noname	0.0854
5	N1     3.7227    -0.5146    -0.7107	N.3	1	noname	-0.2832
6	C3     2.8447    -1.2575     0.1919	C.3	1	noname	0.0854
7	C4     5.0804    -0.5012    -0.1684	C.3	1	noname	0.0122
8	C5     1.4889    -1.2708    -0.3497	C.2	1	noname	0.1422
9	C6     5.0741     0.1719     1.2055	C.3	1	noname	0.0122
10	O3     0.5484    -0.7749     0.3076	O.2	1	noname	-0.2507
11	O4     1.2510    -1.8188    -1.5603	O.3	1	noname	-0.2148
12	N2     6.4317     0.1853     1.7478	N.3	1	noname	-0.2832
13	C7     6.4257     0.8285     3.0607	C.3	1	noname	0.0854
14	C8     6.9173    -1.1873     1.8799	C.3	1	noname	0.0854
15	C9     5.9408     2.1993     2.9289	C.2	1	noname	0.1422
16	C10     8.2731    -1.1739     2.4214	C.2	1	noname	0.1422
17	O5     6.6723     3.1560     3.2638	O.2	1	noname	-0.2507
18	O6     4.7024     2.4336     2.4453	O.3	1	noname	-0.2148
19	O7     9.2136    -1.6699     1.7642	O.2	1	noname	-0.2507
20	O8     8.5110    -0.6260     3.6321	O.3	1	noname	-0.2148
21	H1     6.0255    -0.2594    -1.6731	H	1	noname	0.2213
22	H2     2.7186    -1.0678    -2.4232	H	1	noname	0.0539
23	H3     4.1762    -2.1427    -1.8899	H	1	noname	0.0539
24	H4     3.1934    -2.2902     0.1915	H	1	noname	0.0539
25	H5     2.8047    -0.6961     1.1253	H	1	noname	0.0539
26	H6     5.3553    -1.5457    -0.0216	H	1	noname	0.0444
27	H7     5.6656     0.1272    -0.8398	H	1	noname	0.0444
28	H8     4.7992     1.2164     1.0587	H	1	noname	0.0444
29	H9     4.4889    -0.4565     1.8769	H	1	noname	0.0444
30	H10     1.2655    -2.7759    -1.4868	H	1	noname	0.2213
31	H11     5.6965     0.2945     3.6699	H	1	noname	0.0539
32	H12     7.4644     0.8925     3.3850	H	1	noname	0.0539
33	H13     6.2867    -1.6745     2.6236	H	1	noname	0.0539
34	H14     6.9857    -1.5957     0.8716	H	1	noname	0.0539
35	H15     4.0902     2.5494     3.1757	H	1	noname	0.2213
36	H16     8.6382    -1.3233     4.2795	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	12	13	1
13	12	14	1
14	13	15	1
15	14	16	1
16	15	17	2
17	15	18	1
18	16	19	2
19	16	20	1
20	3	21	1
21	4	22	1
22	4	23	1
23	6	24	1
24	6	25	1
25	7	26	1
26	7	27	1
27	9	28	1
28	9	29	1
29	11	30	1
30	13	31	1
31	13	32	1
32	14	33	1
33	14	34	1
34	18	35	1
35	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1