@<TRIPOS>MOLECULE
72941697
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1248     2.6401     1.1212	O.2	1	noname	-0.2830
2	O2     2.4033    -1.7185     2.1533	O.2	1	noname	-0.2830
3	O3    -1.8055    -1.1090     0.8208	O.2	1	noname	-0.2799
4	N1    -0.5264     0.9346     0.7753	N.3	1	noname	0.0839
5	N2     0.1357    -0.9767     2.2341	N.3	1	noname	0.0839
6	C1     1.9969     0.3580     0.9431	C.3	1	noname	0.1239
7	C2     2.2388    -0.1046    -0.4950	C.3	1	noname	-0.0212
8	C3     0.9512    -0.7073    -1.0603	C.3	1	noname	-0.0469
9	C4     1.1931    -1.1699    -2.4985	C.3	1	noname	-0.0468
10	C5     3.3675     0.9187     1.3280	C.3	1	noname	-0.0126
11	C6     2.6610     1.0911    -1.3512	C.3	1	noname	-0.0610
12	C7     1.5664    -0.8551     1.8116	C.2	1	noname	0.0930
13	C8     0.8728     1.4264     0.9604	C.2	1	noname	0.0930
14	C9    -0.0945    -1.7727    -3.0638	C.3	1	noname	-0.0628
15	C10     2.3006    -2.2255    -2.5152	C.3	1	noname	-0.0628
16	C11     3.3229     1.4062     2.6716	C.2	1	noname	-0.0946
17	C12    -0.8280    -0.4503     1.2368	C.2	1	noname	0.0379
18	C13     4.4093     1.9418     3.2210	C.2	1	noname	-0.0985
19	H1     3.0278    -0.8566    -0.5069	H	1	noname	0.0316
20	H2     0.1622     0.0447    -1.0484	H	1	noname	0.0272
21	H3     0.6505    -1.5592    -0.4504	H	1	noname	0.0272
22	H4     1.4939    -0.3181    -3.1084	H	1	noname	0.0297
23	H5     3.6285     1.7346     0.6539	H	1	noname	0.0325
24	H6     4.1168     0.1308     1.2520	H	1	noname	0.0325
25	H7     2.8333     0.7616    -2.3758	H	1	noname	0.0234
26	H8     1.8720     1.8431    -1.3393	H	1	noname	0.0234
27	H9     3.5783     1.5205    -0.9485	H	1	noname	0.0234
28	H10     0.0778    -2.1023    -4.0884	H	1	noname	0.0233
29	H11    -0.8835    -1.0207    -3.0519	H	1	noname	0.0233
30	H12    -0.3953    -2.6245    -2.4538	H	1	noname	0.0233
31	H13     2.4729    -2.5551    -3.5398	H	1	noname	0.0233
32	H14     1.9998    -3.0773    -1.9053	H	1	noname	0.0233
33	H15     3.2179    -1.7961    -2.1125	H	1	noname	0.0233
34	H16    -0.1360    -1.3636     3.0811	H	1	noname	0.1414
35	H17    -1.2093     1.4929     0.3719	H	1	noname	0.1414
36	H18     2.4835     1.3450     3.1928	H	1	noname	0.0570
37	H19     5.2487     2.0030     2.6998	H	1	noname	0.0534
38	H20     4.3784     2.2792     4.1512	H	1	noname	0.0534
@<TRIPOS>BOND
1	1	13	2
2	2	12	2
3	3	17	2
4	4	13	1
5	4	17	1
6	4	35	1
7	5	12	1
8	5	17	1
9	5	34	1
10	6	7	1
11	6	10	1
12	6	12	1
13	6	13	1
14	7	8	1
15	7	11	1
16	7	19	1
17	8	9	1
18	8	20	1
19	8	21	1
20	9	14	1
21	9	15	1
22	9	22	1
23	10	16	1
24	10	23	1
25	10	24	1
26	11	25	1
27	11	26	1
28	11	27	1
29	14	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	15	33	1
35	16	18	2
36	16	36	1
37	18	37	1
38	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1