@<TRIPOS>MOLECULE
56927907
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.7127    -2.7003    -2.3046	O.3	1	noname	-0.2169
2	O2     5.5455    -0.5158    -1.7824	O.2	1	noname	-0.2534
3	N1    -1.7898     3.9854    -0.3315	N.3	1	noname	-0.0904
4	N2     0.8639     0.2296    -0.1732	N.3	1	noname	0.0224
5	N3    -1.1873     1.1023     0.1153	N.2	1	noname	-0.2283
6	N4     0.4928     4.1867    -0.9102	N.2	1	noname	-0.2747
7	N5     1.9799     2.3444    -0.8750	N.2	1	noname	-0.2628
8	N6     2.7539     4.4756    -1.5033	N.3	1	noname	-0.0796
9	C1    -1.7134     4.9966     0.6482	C.3	1	noname	0.0129
10	C2    -3.0958     5.6220     0.8445	C.3	1	noname	-0.0359
11	C3    -2.5668     4.6026     1.8554	C.3	1	noname	-0.0359
12	C4     1.8435    -0.8513    -0.2282	C.3	1	noname	0.0493
13	C5     3.3648    -0.5933    -0.3265	C.3	1	noname	-0.0147
14	C6     3.8719    -1.9189    -0.9168	C.3	1	noname	0.0650
15	C7    -0.5790     3.4377    -0.5034	C.2	1	noname	0.0679
16	C8     1.6591    -1.6867    -1.3952	C.2	1	noname	-0.0692
17	C9     0.9391     1.5540    -0.4623	C.2	1	noname	0.1215
18	C10    -0.3534     2.0667    -0.2736	C.2	1	noname	-0.0266
19	C11     2.7979    -2.2354    -1.8043	C.2	1	noname	-0.0713
20	C12    -0.4352    -0.0087     0.1700	C.2	1	noname	-0.0422
21	C13     5.0861    -1.6746    -1.6899	C.2	1	noname	0.1384
22	C14     1.7550     3.6781    -1.1011	C.2	1	noname	0.0787
23	H1    -0.9027     5.7230     0.7052	H	1	noname	0.0468
24	H2    -3.0312     3.6338     1.6714	H	1	noname	0.0283
25	H3    -2.5774     5.1091     2.8205	H	1	noname	0.0283
26	H4    -3.8115     5.1373     0.1804	H	1	noname	0.0283
27	H5    -3.1283     6.6643     1.1618	H	1	noname	0.0283
28	H6     1.7374    -1.4635     0.6778	H	1	noname	0.0555
29	H7    -2.4156     3.3026    -0.0433	H	1	noname	0.1300
30	H8     3.5514     0.2145    -1.0341	H	1	noname	0.0300
31	H9     3.8264    -0.3348     0.6266	H	1	noname	0.0300
32	H10     3.9970    -2.7164    -0.1844	H	1	noname	0.0453
33	H11     0.7855    -1.8326    -1.8376	H	1	noname	0.0592
34	H12     2.8903    -2.7912    -2.6183	H	1	noname	0.0581
35	H13    -0.7936    -0.9254     0.4374	H	1	noname	0.1016
36	H14     6.2146    -2.5429    -3.1315	H	1	noname	0.2213
37	H15     2.4210     5.3799    -1.6141	H	1	noname	0.1273
38	H16     3.1040     4.1540    -2.3488	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	21	1
2	1	36	1
3	2	21	2
4	3	9	1
5	3	15	1
6	3	29	1
7	12	4	1
8	4	17	1
9	4	20	1
10	5	18	1
11	5	20	2
12	6	15	1
13	6	22	2
14	7	17	2
15	7	22	1
16	8	22	1
17	8	37	1
18	8	38	1
19	9	10	1
20	9	11	1
21	9	23	1
22	10	11	1
23	10	26	1
24	10	27	1
25	11	24	1
26	11	25	1
27	12	13	1
28	12	16	1
29	12	28	1
30	13	14	1
31	13	30	1
32	13	31	1
33	14	19	1
34	14	21	1
35	14	32	1
36	15	18	2
37	16	19	2
38	16	33	1
39	17	18	1
40	19	34	1
41	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1