@<TRIPOS>MOLECULE
50341041
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.8473    -1.3472     1.2145	N.2	1	noname	-0.2232
2	C1     3.1322    -0.4543     0.2133	C.2	1	noname	0.1040
3	C2     3.8449    -2.1027     1.7670	C.2	1	noname	0.0931
4	N2     4.4305    -0.2842    -0.2128	N.2	1	noname	-0.2440
5	N3     2.1112     0.2532    -0.3790	N.3	1	noname	0.0015
6	N4     5.1235    -1.9339     1.3025	N.2	1	noname	-0.2522
7	N5     3.5788    -2.9863     2.7386	N.3	1	noname	-0.0767
8	C3     5.4456    -1.0283     0.3236	C.2	1	noname	0.0654
9	C4     0.9175     0.6245     0.1654	C.2	1	noname	0.0120
10	C5     2.0890     0.7426    -1.6364	C.2	1	noname	-0.0650
11	C6     6.8237    -0.8644    -0.1299	C.3	1	noname	0.0700
12	N6     0.1463     1.3374    -0.6742	N.2	1	noname	-0.2300
13	N7     0.5132     0.5341     1.4500	N.3	1	noname	0.0465
14	C7     0.8566     1.4229    -1.7934	C.2	1	noname	0.0075
15	C8     3.0074     0.6501    -2.7269	C.2	1	noname	-0.0354
16	C9     0.7928     1.5255     2.3408	C.2	1	noname	0.0448
17	C10     0.4460     2.0341    -3.0044	C.2	1	noname	-0.0099
18	C11     2.6037     1.2260    -3.9685	C.2	1	noname	-0.0472
19	N8     0.3683     1.5155     3.6112	N.2	1	noname	-0.3376
20	C12     1.5477     2.6938     2.1682	C.2	1	noname	0.0215
21	C13     1.3477     1.8994    -4.0977	C.2	1	noname	-0.0437
22	N9     0.7996     2.5637     4.2166	N.3	1	noname	-0.0494
23	C14     1.5381     3.3261     3.3889	C.2	1	noname	-0.0685
24	C15     0.5349     2.8735     5.5664	C.3	1	noname	-0.0426
25	H1     4.3221    -3.3193     3.3359	H	1	noname	0.1273
26	H2     2.6349    -3.3193     2.8737	H	1	noname	0.1273
27	H3     7.4836    -0.7859     0.7340	H	1	noname	0.0312
28	H4     7.1132    -1.7262    -0.7312	H	1	noname	0.0312
29	H5     6.9030     0.0413    -0.7312	H	1	noname	0.0312
30	H6    -0.0025    -0.2819     1.7472	H	1	noname	0.1386
31	H7     3.9752     0.1610    -2.6163	H	1	noname	0.0643
32	H8    -0.4988     2.5711    -3.0891	H	1	noname	0.0645
33	H9     3.2650     1.1502    -4.8316	H	1	noname	0.0623
34	H10     2.0446     3.0422     1.2627	H	1	noname	0.0670
35	H11     1.0682     2.3243    -5.0618	H	1	noname	0.0623
36	H12     2.0278     4.2634     3.6531	H	1	noname	0.0809
37	H13     0.4233     1.9508     6.1358	H	1	noname	0.0453
38	H14     1.3618     3.4546     5.9747	H	1	noname	0.0453
39	H15    -0.3849     3.4546     5.6322	H	1	noname	0.0453
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	2
8	5	9	1
9	5	10	1
10	6	8	1
11	8	11	1
12	9	12	2
13	9	13	1
14	10	14	2
15	10	15	1
16	12	14	1
17	13	16	1
18	14	17	1
19	15	18	2
20	16	19	2
21	16	20	1
22	17	21	2
23	18	21	1
24	19	22	1
25	20	23	2
26	22	24	1
27	22	23	1
28	7	25	1
29	7	26	1
30	11	27	1
31	11	28	1
32	11	29	1
33	13	30	1
34	15	31	1
35	17	32	1
36	18	33	1
37	20	34	1
38	21	35	1
39	23	36	1
40	24	37	1
41	24	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1