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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 60.137397, 24.054959(0.500000, 0.500000, 0.500000)
- H = 36.082438, 14.432975(1.000000, 1.000000, 1.000000)
- N = 60.137397, 24.054959(0.000000, 0.000000, 1.000000)
- O = 56.128237, 23.253127(1.000000, 0.000000, 0.000000)
- ; Instances
- N1 : -53.196404 -113.600706 -6.433831
- C10 : -66.064797 -60.166421 -27.289681
- C1 : -113.606021 -63.292882 -66.502343
- O1 : -122.249254 -106.392990 -90.141638
- O2 : -141.796191 -18.794919 -73.879400
- C11 : -16.242441 -39.999805 -56.926001
- C12 : 29.212709 -30.265967 -24.168209
- C13 : 70.793946 -64.432718 -10.439002
- N6 : 107.551373 -45.061945 23.631398
- C14 : 85.050522 0.379749 32.674882
- C15 : 110.289694 38.629079 64.703844
- C16 : 89.738574 90.649449 67.585639
- C17 : 43.989335 104.237576 38.474195
- C18 : 18.750635 65.987932 6.445225
- C19 : 39.281195 14.058973 3.545376
- H1 : -23.321949 -102.272787 16.398788
- H2 : -40.837035 -141.475489 -31.266947
- H3 : -82.103018 -127.910266 15.950210
- H4 : -75.998451 -36.195884 2.196543
- H13 : -25.712168 -6.248767 -74.596049
- H14 : -6.286351 -66.673740 -84.017670
- H15 : 73.258397 -101.070134 -24.576891
- H16 : 141.423742 -60.662063 35.944849
- H17 : 142.386060 29.110785 85.167407
- H18 : 107.454017 117.475135 90.109802
- H19 : 29.567446 140.764085 40.499149
- H20 : -13.366677 75.597566 -14.036307
- ; Bonds
- N1, C10
- N1, H1
- N1, H2
- N1, H3
- C10, C1
- C10, C11
- C10, H4
- C1, O1
- C1, O2
- C11, C12
- C11, H13
- C11, H14
- C12, C13
- C12, C19
- C13, N6
- C13, H15
- N6, C14
- N6, H16
- C14, C15
- C14, C19
- C15, C16
- C15, H17
- C16, C17
- C16, H18
- C17, C18
- C17, H19
- C18, C19
- C18, H20
-