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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 50.399010, 20.159604(0.500000, 0.500000, 0.500000)
- N = 50.399010, 20.159604(0.000000, 0.000000, 1.000000)
- O = 47.039076, 18.815631(1.000000, 0.000000, 0.000000)
- P = 70.558615, 24.863512(0.850000, 0.850000, 0.000000)
- ; Instances
- O10 : 62.981963 92.952575 72.591375
- P25 : 95.136532 94.027754 29.953812
- O26 : 72.087385 116.673709 -7.979843
- O27 : 139.286065 113.347375 42.923157
- O28 : 100.378029 41.713581 19.000427
- C29 : 60.529212 17.253261 6.938264
- C30 : 56.430092 -25.417901 35.363306
- O31 : 15.640493 -20.814791 62.511573
- C32 : 54.682926 -69.332239 9.424615
- O33 : 97.320489 -90.701419 7.711049
- C34 : 19.605215 -95.942916 35.598501
- O35 : 38.958435 -115.699328 74.405739
- C36 : -11.910966 -58.580450 51.860582
- N37 : -45.476707 -44.502326 17.958847
- C38 : -72.893769 -77.362481 -0.621588
- O39 : -68.055464 -116.673709 11.910966
- N40 : -104.208354 -65.199520 -31.700978
- C41 : -108.408272 -22.259563 -44.334330
- N42 : -139.286065 -11.978165 -74.405739
- C43 : -80.352822 12.448556 -25.619497
- C44 : -49.609426 -0.419992 5.258297
- ; Bonds
- O10, P25
- P25, O26
- P25, O27
- P25, O28
- O28, C29
- C29, C30
- C30, O31
- C30, C32
- O31, C36
- C32, C34
- C32, O33
- C34, O35
- C34, C36
- C36, N37
- N37, C38
- C38, O39
- C38, N40
- N40, C41
- C41, N42
- C41, C43
- C43, C44
- N37, C44
-