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24N.mol2
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@<TRIPOS>MOLECULE
24N
60 64 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C4 -24.1630 -9.2640 4.5060 ca 1 24N 0.167500
2 C5 -24.1750 -8.0040 5.1280 ca 1 24N -0.370900
3 C6 -23.3540 -7.0110 4.5280 ca 1 24N 0.461900
4 N1 -22.6400 -7.3430 3.4330 nb 1 24N -0.317000
5 N3 -23.4520 -9.6020 3.4170 nb 1 24N -0.250000
6 C2 -22.7300 -8.5890 2.9540 ca 1 24N 0.200900
7 CAI -25.0720 -8.1570 6.2300 cc 1 24N 0.367900
8 CAK -25.5040 -7.1990 7.2300 cc 1 24N 0.208700
9 CAL -25.2690 -11.4750 4.9980 c6 1 24N 0.086300
10 CAM -26.7670 -11.7720 4.9530 c6 1 24N -0.084400
11 CAN -27.0140 -13.2760 4.8210 c6 1 24N -0.099400
12 CAO -26.2650 -14.0540 5.9020 c6 1 24N 0.089000
13 CAQ -24.5730 -12.3110 6.0840 c6 1 24N 0.086000
14 CAT -22.4950 -14.1470 5.2300 c3 1 24N -0.152400
15 CAU -26.4010 -7.3640 8.2640 cd 1 24N -0.146000
16 CAZ -28.6550 -5.3400 9.5930 c3 1 24N 0.217300
17 CBA -29.4950 -4.9010 10.7620 ca 1 24N -0.170300
18 CBB -30.1010 -5.8640 11.5680 ca 1 24N -0.073500
19 CBC -30.8430 -5.4720 12.6750 ca 1 24N -0.111500
20 CBD -30.9760 -4.1210 12.9830 ca 1 24N -0.084000
21 CBE -30.3640 -3.1630 12.1820 ca 1 24N -0.111500
22 CBF -29.6190 -3.5500 11.0740 ca 1 24N -0.073500
23 CBI -21.5660 -15.2360 4.7120 c3 1 24N -0.076100
24 FBG -28.5670 -4.3430 8.6510 f 1 24N -0.105500
25 FBH -29.2570 -6.4010 8.9460 f 1 24N -0.105500
26 NAG -25.0020 -10.0620 5.2120 na 1 24N -0.031100
27 NAH -25.5470 -9.3950 6.2610 nd 1 24N -0.540100
28 NAJ -23.2500 -5.7680 5.0010 nv 1 24N -1.062900
29 NAP -24.8400 -13.7230 5.8590 n 1 24N -0.414800
30 NAV -26.4330 -6.1640 8.8790 na 1 24N 0.112800
31 NAW -25.6100 -5.2910 8.2770 nd 1 24N -0.178800
32 NAX -25.0480 -5.9150 7.2840 nc 1 24N -0.383000
33 OAS -24.2570 -15.7760 5.1080 o 1 24N -0.605100
34 H1 -22.1310 -8.7930 2.0720 h5 1 24N 0.046100
35 H2 -24.8140 -11.7140 4.0360 h1 1 24N 0.091700
36 H3 -27.2210 -11.2280 4.1220 hc 1 24N 0.059700
37 H4 -27.2230 -11.4050 5.8760 hc 1 24N 0.059700
38 H5 -28.0830 -13.4850 4.8980 hc 1 24N 0.055200
39 H6 -26.6810 -13.6260 3.8400 hc 1 24N 0.055200
40 H7 -26.6450 -13.7850 6.8920 h1 1 24N 0.065200
41 H8 -26.3720 -15.1250 5.7680 h1 1 24N 0.065200
42 H9 -23.5080 -12.1070 6.0890 h1 1 24N 0.064200
43 H10 -24.9740 -12.0320 7.0620 h1 1 24N 0.064200
44 H11 -22.4830 -13.2900 4.5520 hc 1 24N 0.059200
45 H12 -22.1390 -13.7740 6.1940 hc 1 24N 0.059200
46 H13 -26.9880 -8.2030 8.5910 h4 1 24N 0.185000
47 H14 -27.3150 -6.5780 10.7150 h1 1 24N 0.096700
48 H15 -26.7560 -4.9100 10.4880 h1 1 24N 0.096700
49 H16 -29.9970 -6.9140 11.3290 ha 1 24N 0.127500
50 H17 -31.3160 -6.2210 13.2960 ha 1 24N 0.122500
51 H18 -31.5550 -3.8170 13.8450 ha 1 24N 0.121000
52 H19 -30.4650 -2.1110 12.4190 ha 1 24N 0.122500
53 H20 -29.1410 -2.8040 10.4540 ha 1 24N 0.127500
54 H21 -20.5540 -14.8400 4.6110 hc 1 24N 0.042367
55 H22 -21.5340 -16.0870 5.3930 hc 1 24N 0.042367
56 H23 -21.8900 -15.6000 3.7370 hc 1 24N 0.042367
57 H24 -22.6650 -5.1070 4.5160 hn 1 24N 0.522500
58 H25 -23.7830 -5.4900 5.8200 hn 1 24N 0.522500
59 CAR -23.9340 -14.6190 5.3880 c 1 24N 0.600100
60 CAY -27.2440 -5.7550 10.0070 c3 1 24N 0.032600
@<TRIPOS>BOND
1 1 2 ar
2 1 5 ar
3 1 26 1
4 2 3 ar
5 2 7 1
6 3 4 ar
7 3 28 1
8 4 6 ar
9 5 6 ar
10 6 34 1
11 7 8 1
12 7 27 2
13 8 15 2
14 8 32 1
15 9 10 1
16 9 13 1
17 9 26 1
18 9 35 1
19 10 11 1
20 10 36 1
21 10 37 1
22 11 12 1
23 11 38 1
24 11 39 1
25 12 29 1
26 12 40 1
27 12 41 1
28 13 29 1
29 13 42 1
30 13 43 1
31 14 23 1
32 14 44 1
33 14 45 1
34 14 59 1
35 15 30 1
36 15 46 1
37 16 17 1
38 16 24 1
39 16 25 1
40 16 60 1
41 17 18 ar
42 17 22 ar
43 18 19 ar
44 18 49 1
45 19 20 ar
46 19 50 1
47 20 21 ar
48 20 51 1
49 21 22 ar
50 21 52 1
51 22 53 1
52 23 54 1
53 23 55 1
54 23 56 1
55 26 27 1
56 28 57 1
57 28 58 1
58 29 59 1
59 30 31 1
60 30 60 1
61 31 32 2
62 33 59 2
63 47 60 1
64 48 60 1
@<TRIPOS>SUBSTRUCTURE
1 24N 1 TEMP 0 **** **** 0 ROOT