@<TRIPOS>MOLECULE
50336408
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0479    -0.6121     1.7370	O.2	1	noname	-0.2746
2	C1     2.5431    -0.7522     0.6020	C.2	1	noname	0.0987
3	N1     2.9119    -1.8446    -0.2083	N.3	1	noname	-0.1248
4	C2     1.5650     0.2174     0.1060	C.2	1	noname	0.0316
5	C3     4.1378    -2.4337    -0.2076	C.2	1	noname	0.0290
6	C4     1.6300     1.5542     0.6109	C.2	1	noname	0.0622
7	C5     0.5150    -0.1802    -0.7732	C.2	1	noname	0.0021
8	C6     4.4410    -3.5043    -1.0159	C.2	1	noname	0.0424
9	C7     5.2895    -2.1281     0.5246	C.2	1	noname	-0.0618
10	N2     2.6285     1.9905     1.4606	N.2	1	noname	-0.2537
11	C8     0.5764     2.4715     0.2255	C.2	1	noname	-0.0225
12	C9    -0.5035     0.7282    -1.1535	C.2	1	noname	-0.0363
13	N3     5.7145    -3.8259    -0.7311	N.2	1	noname	-0.2934
14	N4     6.2236    -3.0338     0.1683	N.3	1	noname	-0.0269
15	C10     2.6746     3.2573     1.9687	C.2	1	noname	0.0545
16	C11     0.6450     3.7786     0.7680	C.2	1	noname	0.0438
17	C12    -0.4734     2.0507    -0.6444	C.2	1	noname	-0.0120
18	C13    -1.5699     0.3078    -2.0577	C.3	1	noname	-0.0003
19	N5     1.6759     4.1180     1.6051	N.2	1	noname	-0.2488
20	C14     3.7481     3.6763     2.8651	C.3	1	noname	0.0665
21	N6    -0.2967     4.6818     0.4630	N.3	1	noname	-0.1130
22	H1     2.2372    -2.2408    -0.8470	H	1	noname	0.1375
23	H2     0.4905    -1.1982    -1.1619	H	1	noname	0.0634
24	H3     3.7970    -4.0015    -1.7413	H	1	noname	0.0873
25	H4     5.4338    -1.3245     1.2467	H	1	noname	0.0823
26	H5     7.1663    -3.1080     0.5230	H	1	noname	0.1747
27	H6    -1.2626     2.7487    -0.9238	H	1	noname	0.0633
28	H7    -2.4274    -0.0303    -1.4759	H	1	noname	0.0279
29	H8    -1.8657     1.1478    -2.6861	H	1	noname	0.0279
30	H9    -1.2128    -0.5081    -2.6861	H	1	noname	0.0279
31	H10     3.4275     3.5512     3.8994	H	1	noname	0.0312
32	H11     4.6328     3.0663     2.6826	H	1	noname	0.0312
33	H12     3.9855     4.7244     2.6826	H	1	noname	0.0312
34	H13    -0.0461     5.6535     0.3481	H	1	noname	0.1258
35	H14    -1.2571     4.3910     0.3481	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	2
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	2
13	9	14	1
14	10	15	1
15	11	16	2
16	11	17	1
17	12	18	1
18	12	17	2
19	13	14	1
20	15	19	2
21	15	20	1
22	16	21	1
23	16	19	1
24	3	22	1
25	7	23	1
26	8	24	1
27	9	25	1
28	14	26	1
29	17	27	1
30	18	28	1
31	18	29	1
32	18	30	1
33	20	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1