@<TRIPOS>MOLECULE
DB02356
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4190    -0.0778     0.5096	O.2	1	noname	-0.2830
2	C1     0.3951     1.1702     0.5763	C.2	1	noname	0.0589
3	N1     1.3094     2.0902     1.2583	N.3	1	noname	-0.0356
4	C2    -0.5279     2.0951     0.0109	C.2	1	noname	0.0900
5	C3     0.4777     3.2851     1.5210	C.3	1	noname	0.1272
6	C4     2.6650     1.8845     1.5872	C.3	1	noname	0.0944
7	N2    -0.4880     3.2451     0.5516	N.2	1	noname	-0.2202
8	C5    -1.4842     1.7828    -1.0131	C.3	1	noname	0.0342
9	C6     1.2917     4.5869     1.4718	C.3	1	noname	0.0643
10	C7     3.4305     1.6431     0.3676	C.2	1	noname	0.1425
11	C8    -1.0783     1.7951    -2.4260	C.2	1	noname	-0.0655
12	N3     0.4109     5.7228     1.7391	N.3	1	noname	-0.3228
13	C9     2.3962     4.5380     2.5294	C.3	1	noname	0.0618
14	O2     4.3693     2.4079     0.0573	O.2	1	noname	-0.2505
15	O3     3.1244     0.5940    -0.4249	O.3	1	noname	-0.2147
16	N4    -1.4158     2.7528    -3.2938	N.3	1	noname	-0.0473
17	C10    -0.3736     0.8204    -3.1175	C.2	1	noname	0.0133
18	O4     3.1487     5.7414     2.4839	O.3	1	noname	-0.3945
19	C11    -0.9508     2.4080    -4.4984	C.2	1	noname	-0.0515
20	N5    -0.3140     1.2271    -4.3937	N.2	1	noname	-0.2415
21	H1    -0.0327     3.2350     2.4828	H	1	noname	0.0746
22	H2     3.0196     2.8228     2.0138	H	1	noname	0.0544
23	H3     2.6984     0.9697     2.1789	H	1	noname	0.0544
24	H4    -1.7606     0.7487    -0.8078	H	1	noname	0.0397
25	H5    -2.2293     2.5736    -0.9266	H	1	noname	0.0397
26	H6     1.7175     4.7418     0.4804	H	1	noname	0.0523
27	H7     0.7979     6.6511     1.8315	H	1	noname	0.1188
28	H8    -0.5845     5.5791     1.8315	H	1	noname	0.1188
29	H9     1.9232     4.5277     3.5114	H	1	noname	0.0581
30	H10     3.0942     3.7479     2.2524	H	1	noname	0.0581
31	H11     2.9031    -0.1648     0.1199	H	1	noname	0.2213
32	H12    -1.9331     3.5927    -3.0767	H	1	noname	0.1534
33	H13     0.0570    -0.1018    -2.7272	H	1	noname	0.0856
34	H14     3.3336     6.0371     3.3783	H	1	noname	0.2100
35	H15    -1.0707     2.9910    -5.4115	H	1	noname	0.1013
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	7	1
10	6	10	1
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	10	15	1
16	11	16	1
17	11	17	2
18	13	18	1
19	16	19	1
20	17	20	1
21	19	20	2
22	5	21	1
23	6	22	1
24	6	23	1
25	8	24	1
26	8	25	1
27	9	26	1
28	12	27	1
29	12	28	1
30	13	29	1
31	13	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	18	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1