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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 55.966595, 22.386638(0.500000, 0.500000, 0.500000)
- H = 33.579957, 13.431983(1.000000, 1.000000, 1.000000)
- N = 55.966595, 22.386638(0.000000, 0.000000, 1.000000)
- O = 52.235489, 21.640417(1.000000, 0.000000, 0.000000)
- ; Instances
- C10 : 24.841746 -20.175080 -52.598703
- C11 : 51.925395 -56.859776 -18.577031
- C12 : 95.122067 -81.847394 -45.752384
- C2 : -66.779597 -4.995269 -31.445679
- C3 : -17.558266 6.549641 -27.694405
- C4 : 24.258210 79.166519 20.926971
- C5 : 14.401679 119.581502 50.202344
- C6 : -34.318515 132.062611 62.760169
- C7 : -73.797587 104.717393 46.139802
- C8 : -63.842372 62.699485 16.596760
- C9 : -14.702087 49.745344 3.422467
- H1 : -126.849596 27.149978 1.813289
- H10 : 49.297661 4.930062 -64.102400
- H101 : 14.268666 -38.478880 -82.237064
- H11 : 66.127656 -38.800988 12.250175
- H111 : -6.430161 -82.346735 20.151112
- H112 : 34.303196 -120.397532 16.985644
- H113 : 2.934895 -114.570614 -28.541158
- H114 : 160.436004 -73.801312 -57.380640
- H2 : -83.765981 -29.536408 -46.494267
- H4 : 59.750381 69.338230 13.205409
- H5 : 40.597146 140.972482 64.117560
- H6 : -40.817880 161.089141 85.997671
- H7 : -108.465488 109.190554 51.070960
- N1 : -94.408240 28.358120 -5.080720
- N11 : 17.724184 -96.356065 -1.107565
- O12 : 135.608862 -55.310690 -44.347658
- O129 : 90.842189 -121.261261 -66.349379
- ; Bonds
- C10, C11
- C10, C3
- C10, H10
- C10, H101
- C11, C12
- C11, H11
- C11, N11
- C12, O12
- C12, O129
- C2, C3
- C2, H2
- C3, C9
- C2, N1
- C4, C5
- C4, C9
- C4, H4
- C5, C6
- C5, H5
- C6, C7
- C6, H6
- C7, C8
- C7, H7
- C8, C9
- C8, N1
- H111, N11
- H112, N11
- H113, N11
- H114, O12
- H1, N1
-