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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 70.235379, 28.094152(0.500000, 0.500000, 0.500000)
- H = 42.141228, 16.856492(1.000000, 1.000000, 1.000000)
- N = 70.235379, 28.094152(0.000000, 0.000000, 1.000000)
- O = 65.553021, 27.157680(1.000000, 0.000000, 0.000000)
- ; Instances
- C21 : -42.840099 36.977220 2.630495
- C22 : 21.963467 46.764320 -13.835993
- C31 : 68.059768 3.067818 -5.562236
- C41 : 53.080936 -54.184981 19.678502
- C51 : -6.837036 -67.919111 38.049114
- C61 : -53.135199 -23.912186 30.569445
- N2 : 41.201743 106.523358 -40.499919
- N4 : 101.706071 -100.666960 29.201045
- N6 : -115.008167 -41.047474 51.406422
- O1 : -86.013475 75.183271 -7.685313
- O2 : 5.436282 151.162276 -39.652247
- O29 : 93.494386 110.418111 -63.031302
- O4 : 155.275157 -86.936466 14.964541
- O49 : 86.663684 -151.162276 50.472307
- O6 : -125.884779 -95.893922 63.031302
- O69 : -155.275157 -1.714640 59.190581
- H3 : 105.812235 12.820159 -14.202259
- H51 : -18.309996 -104.591204 55.394273
- ; Bonds
- C21, C22
- C21, C61
- C21, O1
- C22, C31
- C22, N2
- C31, C41
- C31, H3
- C41, C51
- C41, N4
- C51, C61
- C51, H51
- C61, N6
- N2, O2
- N2, O29
- N4, O4
- N4, O49
- N6, O6
- N6, O69
-