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Copy path241.mol2
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241.mol2
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@<TRIPOS>MOLECULE
241
61 64 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 CAA 4.1820 5.8590 0.3300 c3 1 241 0.147900
2 OAV 3.7770 4.5160 0.5250 os 1 241 -0.304100
3 CBC 2.5220 4.1660 0.2250 ca 1 241 0.176100
4 CAM 1.5620 5.0480 -0.2770 ca 1 241 -0.184500
5 CAO 0.2860 4.5890 -0.5510 ca 1 241 -0.030500
6 CAN 2.1870 2.8240 0.4460 ca 1 241 -0.184500
7 CAP 0.9170 2.3800 0.1480 ca 1 241 -0.030500
8 CBF -0.0500 3.2520 -0.3640 ca 1 241 -0.232600
9 CAZ -1.4280 2.8030 -0.6190 c 1 241 0.654700
10 OAE -2.4010 3.5000 -0.4460 o 1 241 -0.539100
11 NBK -1.5780 1.4620 -1.0090 n 1 241 -0.103600
12 CBB -0.7260 0.7390 -1.8500 cc 1 241 0.010400
13 CAB 0.2350 1.4000 -2.7770 c3 1 241 -0.040900
14 CBI -2.4620 0.5820 -0.4020 ca 1 241 -0.069000
15 CAR -3.4800 0.8020 0.5180 ca 1 241 -0.101000
16 CAQ -4.1640 -0.3020 0.9970 ca 1 241 -0.097000
17 CBE -3.8220 -1.5830 0.5650 ca 1 241 0.051100
18 OAX -4.4950 -2.6710 1.1210 os 1 241 -0.397100
19 CBL -5.5870 -3.1150 0.4890 c3 1 241 0.509000
20 FAI -6.5450 -2.1890 0.3960 f 1 241 -0.116000
21 FAG -5.3340 -3.5310 -0.7540 f 1 241 -0.116000
22 FAH -6.0660 -4.1380 1.1800 f 1 241 -0.116000
23 CAT -2.8060 -1.8160 -0.3360 ca 1 241 -0.045000
24 CBH -2.1140 -0.7110 -0.8270 ca 1 241 -0.078800
25 CBG -1.0230 -0.5850 -1.7500 cd 1 241 -0.115400
26 CAU -0.2860 -1.7220 -2.3760 c3 1 241 0.042100
27 CBA 0.6750 -2.3290 -1.3770 ca 1 241 -0.051300
28 CAS 1.6910 -1.5480 -0.8440 ca 1 241 -0.168000
29 CAK 0.5360 -3.6460 -0.9490 ca 1 241 -0.178000
30 CAJ 1.4080 -4.1520 0.0040 ca 1 241 -0.075000
31 CAL 2.4190 -3.3700 0.5480 ca 1 241 -0.210000
32 CBD 2.5630 -2.0460 0.1250 ca 1 241 0.180100
33 OAW 3.4760 -1.1760 0.5870 os 1 241 -0.310100
34 CBJ 4.3980 -1.5710 1.5960 c3 1 241 0.018300
35 CAC 5.5500 -2.3680 0.9980 c3 1 241 -0.098100
36 CAY 4.9190 -0.3130 2.3260 c 1 241 0.733000
37 OAD 5.6930 -0.5650 3.2700 o 1 241 -0.714000
38 OAF 4.5450 0.8050 1.9360 o 1 241 -0.714000
39 HAA1 4.1220 6.1520 -0.7210 h1 1 241 0.037033
40 HAA2 3.5880 6.5540 0.9280 h1 1 241 0.037033
41 HAA3 5.2190 5.9160 0.6510 h1 1 241 0.037033
42 HAM 1.7910 6.0890 -0.4590 ha 1 241 0.160500
43 HAO -0.4510 5.2840 -0.9350 ha 1 241 0.127000
44 HAN 2.9260 2.1400 0.8490 ha 1 241 0.160500
45 HAP 0.6770 1.3400 0.3350 ha 1 241 0.127000
46 HAB1 1.2050 1.6010 -2.3230 hc 1 241 0.054700
47 HAB2 0.4060 0.7580 -3.6400 hc 1 241 0.054700
48 HAB3 -0.1540 2.3480 -3.1480 hc 1 241 0.054700
49 HAR -3.7550 1.7920 0.8520 ha 1 241 0.139000
50 HAQ -4.9570 -0.1680 1.7200 ha 1 241 0.126000
51 HAT -2.5400 -2.8240 -0.6310 ha 1 241 0.138000
52 HAU1 -0.9800 -2.4870 -2.7320 hc 1 241 0.046700
53 HAU2 0.2660 -1.3790 -3.2540 hc 1 241 0.046700
54 HAS 1.8180 -0.5190 -1.1640 ha 1 241 0.119000
55 HAK -0.2480 -4.2710 -1.3580 ha 1 241 0.095000
56 HAJ 1.3010 -5.1760 0.3390 ha 1 241 0.095000
57 HAL 3.0720 -3.8060 1.2910 ha 1 241 0.122000
58 HBJ 3.8810 -2.1820 2.3460 h1 1 241 0.032700
59 HAC1 6.2250 -2.6910 1.7870 hc 1 241 0.028700
60 HAC2 5.2030 -3.2600 0.4720 hc 1 241 0.028700
61 HAC3 6.1190 -1.7610 0.2910 hc 1 241 0.028700
@<TRIPOS>BOND
1 1 2 1
2 1 39 1
3 1 40 1
4 1 41 1
5 2 3 1
6 3 4 ar
7 3 6 ar
8 4 5 ar
9 4 42 1
10 5 8 ar
11 5 43 1
12 6 7 ar
13 6 44 1
14 7 8 ar
15 7 45 1
16 8 9 1
17 9 10 2
18 9 11 1
19 11 12 1
20 11 14 1
21 12 13 1
22 12 25 2
23 13 46 1
24 13 47 1
25 13 48 1
26 14 15 ar
27 14 24 ar
28 15 16 ar
29 15 49 1
30 16 17 ar
31 16 50 1
32 17 18 1
33 17 23 ar
34 18 19 1
35 19 20 1
36 19 21 1
37 19 22 1
38 23 24 ar
39 23 51 1
40 24 25 1
41 25 26 1
42 26 27 1
43 26 52 1
44 26 53 1
45 27 28 ar
46 27 29 ar
47 28 32 ar
48 28 54 1
49 29 30 ar
50 29 55 1
51 30 31 ar
52 30 56 1
53 31 32 ar
54 31 57 1
55 32 33 1
56 33 34 1
57 34 35 1
58 34 36 1
59 34 58 1
60 35 59 1
61 35 60 1
62 35 61 1
63 36 37 1
64 36 38 1
@<TRIPOS>SUBSTRUCTURE
1 241 1 TEMP 0 **** **** 0 ROOT