@<TRIPOS>MOLECULE
128471
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7356     0.2367     0.1334	S.3	1	noname	-0.1935
2	C1    -0.0191     0.2394     0.0958	C.2	1	noname	0.0188
3	C2     1.9782     1.9859     0.0339	C.2	1	noname	0.0535
4	C3    -0.4007     1.6004     0.0253	C.2	1	noname	-0.0072
5	C4    -0.9526    -0.8051     0.1268	C.2	1	noname	-0.0088
6	N1     3.1361     2.6598     0.0067	N.3	1	noname	-0.1201
7	C5     0.6762     2.5021    -0.0099	C.2	1	noname	0.0080
8	C6    -1.7441     2.0300    -0.0086	C.2	1	noname	-0.0349
9	C7    -2.3460    -0.4334     0.0976	C.2	1	noname	-0.0292
10	C8     4.2268     2.0963    -0.5302	C.2	1	noname	0.1308
11	C9    -2.6899     0.9825     0.0303	C.2	1	noname	-0.0398
12	C10    -3.3881    -1.4468     0.1465	C.2	1	noname	-0.0205
13	O1     5.3070     2.7249    -0.5555	O.2	1	noname	-0.2766
14	C11     4.1537     0.7480    -1.0856	C.3	1	noname	0.0099
15	C12    -4.7744    -1.0613     0.1275	C.2	1	noname	0.0109
16	C13    -3.0628    -2.8555     0.2191	C.2	1	noname	-0.0264
17	C14    -5.7367    -2.0802     0.1781	C.2	1	noname	0.0438
18	C15    -4.0103    -3.8962     0.2710	C.2	1	noname	0.0022
19	N2    -7.0708    -1.9740     0.1714	N.2	1	noname	-0.2007
20	C16    -5.3418    -3.4229     0.2457	C.2	1	noname	0.0272
21	C17    -7.5138    -3.2508     0.2347	C.2	1	noname	0.1318
22	O2    -6.4763    -4.1330     0.2800	O.3	1	noname	-0.3546
23	N3    -8.8067    -3.6026     0.2508	N.3	1	noname	-0.0643
24	H1    -0.6162    -1.8410     0.1708	H	1	noname	0.0644
25	H2     3.1867     3.5925     0.3909	H	1	noname	0.1378
26	H3     0.5056     3.5770    -0.0698	H	1	noname	0.0654
27	H4    -2.0270     3.0814    -0.0604	H	1	noname	0.0629
28	H5    -3.7378     1.2819     0.0072	H	1	noname	0.0629
29	H6     4.1143     0.0222    -0.2734	H	1	noname	0.0324
30	H7     3.2574     0.6559    -1.6990	H	1	noname	0.0324
31	H8     5.0347     0.5595    -1.6990	H	1	noname	0.0324
32	H9    -5.0892    -0.0190     0.0759	H	1	noname	0.0652
33	H10    -2.0158    -3.1581     0.2360	H	1	noname	0.0630
34	H11    -3.7426    -4.9514     0.3248	H	1	noname	0.0651
35	H12    -9.5236    -2.8912     0.2569	H	1	noname	0.1278
36	H13    -9.0643    -4.5792     0.2569	H	1	noname	0.1278
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	4	7	1
9	5	9	2
10	6	10	1
11	8	11	2
12	9	12	1
13	9	11	1
14	10	13	2
15	10	14	1
16	12	15	2
17	12	16	1
18	15	17	1
19	16	18	2
20	17	19	1
21	17	20	2
22	18	20	1
23	19	21	2
24	20	22	1
25	21	23	1
26	21	22	1
27	5	24	1
28	6	25	1
29	7	26	1
30	8	27	1
31	11	28	1
32	14	29	1
33	14	30	1
34	14	31	1
35	15	32	1
36	16	33	1
37	18	34	1
38	23	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1