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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 100.000000, 40.000000(0.500000, 0.500000, 0.500000)
- H = 60.000000, 24.000000(1.000000, 1.000000, 1.000000)
- N = 100.000000, 40.000000(0.000000, 0.000000, 1.000000)
- O = 93.333333, 38.666667(1.000000, 0.000000, 0.000000)
- ; Instances
- C1 : -44.672346 76.666780 -56.448400
- C2 : 12.808081 28.355491 10.319691
- C3 : -33.313890 -56.660566 40.557190
- N1 : 99.035092 2.303735 -29.611844
- O22 : -57.933195 -61.077131 124.734214
- O1 : -46.659036 -115.710549 -15.089220
- H1 : -64.063579 36.787699 -113.208465
- H2 : -103.553842 101.597335 -23.409561
- H3 : -4.387044 132.030910 -78.722889
- H4 : 27.040846 71.825391 57.387103
- H8 : 142.115638 -17.914135 14.072413
- H9 : 91.012234 -47.667160 -67.364921
- H10 : 125.246348 42.488410 -71.163451
- H11 : -37.671427 -26.938577 158.030871
- ; Bonds
- C1, C2
- C1, H1
- C1, H2
- C1, H3
- C2, C3
- C2, N1
- C2, H4
- C3, O22
- C3, O1
- N1, H8
- N1, H9
- N1, H10
- O22, H11
-