@<TRIPOS>MOLECULE
50341057
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.8498    -1.3443     1.2121	N.2	1	noname	-0.2231
2	C1     3.1342    -0.4434     0.2214	C.2	1	noname	0.1040
3	C2     3.8431    -2.0999     1.7588	C.2	1	noname	0.0931
4	N2     4.4307    -0.2844    -0.2115	N.2	1	noname	-0.2439
5	N3     2.1270     0.2716    -0.3581	N.3	1	noname	0.0032
6	N4     5.1122    -1.9242     1.2943	N.2	1	noname	-0.2521
7	N5     3.5798    -2.9900     2.7252	N.3	1	noname	-0.0767
8	C3     5.4385    -1.0313     0.3205	C.2	1	noname	0.0654
9	C4     0.9432     0.6669     0.1909	C.2	1	noname	0.0129
10	C5     2.0951     0.7562    -1.6156	C.2	1	noname	-0.0632
11	C6     6.8166    -0.8793    -0.1369	C.3	1	noname	0.0700
12	N6     0.1710     1.3890    -0.6389	N.2	1	noname	-0.2277
13	N7     0.5125     0.5058     1.4640	N.3	1	noname	0.0561
14	C7     0.8576     1.4412    -1.7731	C.2	1	noname	0.0081
15	C8     3.0076     0.6475    -2.7206	C.2	1	noname	-0.0351
16	C9     0.7610     1.5057     2.3555	C.2	1	noname	0.0305
17	C10     0.4409     2.0285    -2.9956	C.2	1	noname	-0.0098
18	C11     2.6013     1.2180    -3.9592	C.2	1	noname	-0.0472
19	N8     0.3330     1.4971     3.6296	N.2	1	noname	-0.1745
20	N9     1.5056     2.6069     2.1142	N.3	1	noname	-0.0062
21	C12     1.3447     1.8878    -4.0905	C.2	1	noname	-0.0437
22	N10     0.8088     2.5681     4.1703	N.2	1	noname	-0.1755
23	C13     1.5428     3.2712     3.2803	C.2	1	noname	-0.0354
24	H1     4.3245    -3.3254     3.3194	H	1	noname	0.1273
25	H2     2.6366    -3.3254     2.8595	H	1	noname	0.1273
26	H3     7.4796    -0.8062     0.7252	H	1	noname	0.0312
27	H4     7.0971    -1.7437    -0.7387	H	1	noname	0.0312
28	H5     6.9020     0.0255    -0.7387	H	1	noname	0.0312
29	H6     0.0219    -0.3328     1.7396	H	1	noname	0.1400
30	H7     3.9728     0.1504    -2.6229	H	1	noname	0.0643
31	H8    -0.5102     2.5528    -3.0876	H	1	noname	0.0645
32	H9     3.2635     1.1406    -4.8216	H	1	noname	0.0623
33	H10     1.9427     2.8768     1.2446	H	1	noname	0.1563
34	H11     1.0662     2.3053    -5.0580	H	1	noname	0.0623
35	H12     2.0702     4.2063     3.4692	H	1	noname	0.1034
@<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	1
26	22	23	2
27	7	24	1
28	7	25	1
29	11	26	1
30	11	27	1
31	11	28	1
32	13	29	1
33	15	30	1
34	17	31	1
35	18	32	1
36	20	33	1
37	21	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1