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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 65.743192, 26.297277(0.500000, 0.500000, 0.500000)
- H = 39.445915, 15.778366(1.000000, 1.000000, 1.000000)
- N = 65.743192, 26.297277(0.000000, 0.000000, 1.000000)
- O = 61.360312, 25.420701(1.000000, 0.000000, 0.000000)
- ; Instances
- C1 : -126.253179 40.042348 -25.906757
- C2 : -84.902703 -8.033450 -7.400065
- C3 : -26.027267 17.981276 9.789132
- C4 : 78.036955 25.629233 -9.538451
- C5 : 104.310413 -10.583747 39.650269
- C6 : 116.402333 26.204804 -63.769751
- N1 : -107.778402 -39.729848 44.253962
- N2 : 19.343303 4.547830 -23.287213
- O1 : -24.046067 50.843139 52.668186
- O2 : 111.185672 -70.233777 23.080426
- O3 : 168.013730 45.383941 -57.226938
- O4 : 95.857687 8.495230 -111.097613
- H1 : -131.936037 74.313314 6.273593
- H2 : -111.024872 58.925642 -66.532585
- H3 : -167.640902 18.247404 -33.169976
- H4 : -84.326637 -36.683526 -39.658929
- H5 : 75.824273 63.284833 4.377143
- H6 : 75.719251 -8.352299 77.335262
- H7 : 146.689618 7.238444 50.914611
- H8 : -86.606393 -75.608198 52.508339
- H9 : -102.362173 -16.809015 78.436422
- H10 : -149.042406 -45.521280 46.461209
- H11 : 16.456498 -21.801096 -44.682306
- H12 : 67.169542 -88.976684 28.752396
- ; Bonds
- C1, C2
- C1, H1
- C1, H2
- C1, H3
- C2, C3
- C2, N1
- C2, H4
- C3, N2
- C3, O1
- C4, C5
- C4, C6
- C4, N2
- C4, H5
- C5, O2
- C5, H6
- C5, H7
- C6, O3
- C6, O4
- N1, H8
- N1, H9
- N1, H10
- N2, H11
- O2, H12
-