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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 37.040718, 14.816287(0.500000, 0.500000, 0.500000)
- H = 22.224431, 8.889772(1.000000, 1.000000, 1.000000)
- N = 37.040718, 14.816287(0.000000, 0.000000, 1.000000)
- O = 34.571336, 14.322411(1.000000, 0.000000, 0.000000)
- ; Instances
- N8 : -25.836875 144.173413 -87.705557
- C9 : -6.127432 116.373720 -100.732887
- C10 : 15.923871 105.214128 -72.257804
- O11 : 21.086644 74.968594 -67.846781
- C12 : 9.534092 129.508193 -131.086519
- H13 : -20.712964 164.546224 -99.621206
- H14 : -23.288781 96.144390 -103.861270
- N15 : 29.342060 127.753583 -53.696918
- C16 : 50.711117 116.762766 -26.435095
- C17 : 31.048084 98.013019 -0.480807
- O18 : 45.388581 72.272077 11.687569
- C19 : 68.605985 145.119873 -10.592492
- H20 : 23.879816 151.266489 -58.671049
- H21 : 69.415323 99.705132 -36.011645
- N22 : 0.969899 107.345090 8.925505
- C23 : -18.954836 90.389622 32.537386
- C24 : -30.305146 58.392653 16.800485
- O25 : -33.760735 35.858927 37.155455
- C26 : -48.349365 109.073620 43.542729
- H27 : -8.150630 126.625582 -3.893423
- H28 : -3.121765 84.607088 53.460107
- N29 : -37.305748 55.407425 -14.343488
- C30 : -46.446052 25.020833 -30.920186
- C31 : -17.925324 0.650466 -28.901274
- O32 : -25.735774 -28.332462 -22.426425
- C33 : -60.594066 34.269918 -64.244969
- H34 : -33.542777 74.653278 -29.365835
- H35 : -66.815384 15.238323 -16.280338
- N36 : 13.371620 9.133009 -31.173124
- C37 : 42.501298 -11.246468 -27.611593
- C38 : 43.203640 -28.027327 6.635359
- O39 : 50.837943 -57.326514 10.832629
- C40 : 76.204313 5.252315 -36.100230
- H41 : 16.593220 33.878421 -36.770789
- H42 : 46.956275 -29.278020 -46.386263
- N43 : 37.800741 -9.765395 33.427665
- C44 : 37.488600 -20.609230 66.547927
- C45 : 9.364053 -45.135722 73.412534
- O46 : 13.372748 -69.809161 91.770425
- C47 : 34.648414 7.352627 92.586077
- H48 : 32.438666 14.514388 30.308219
- H49 : 59.704597 -33.661561 73.265400
- N50 : -19.308686 -38.564509 59.074727
- C51 : -48.737254 -60.284957 63.430171
- C52 : -43.361696 -92.331577 45.373692
- O53 : -53.003260 -117.397697 60.711785
- C54 : -81.397690 -42.441346 52.411290
- H55 : -21.949733 -18.709034 44.257311
- H56 : -49.261343 -63.510179 89.431511
- N57 : -30.111886 -93.022044 14.913435
- C58 : -25.056889 -122.389261 -3.956122
- C59 : 4.935610 -143.703636 5.006291
- O60 : 4.161784 -174.023609 -0.876207
- C61 : -17.589124 -113.085043 -39.917110
- H62 : -23.633592 -70.555336 5.799387
- H63 : -47.966831 -135.887644 -3.854454
- N64 : 30.533923 -126.653109 15.317145
- C65 : 62.891703 -142.096654 20.114298
- C66 : 77.700909 -138.283750 53.773570
- O67 : 102.654587 -156.337434 54.059140
- C68 : 87.734046 -130.704521 -5.803402
- H69 : 30.926670 -102.436026 17.745383
- H70 : 60.535638 -168.253511 14.696463
- N71 : 66.827077 -123.412668 79.642366
- ; Bonds
- N8, C9
- C9, C10
- C10, O11
- C9, H14
- C9, C12
- N8, H13
- C10, N15
- N15, C16
- C16, C17
- C17, O18
- C16, H21
- C16, C19
- N15, H20
- C17, N22
- N22, C23
- C23, C24
- C24, O25
- C23, H28
- C23, C26
- N22, H27
- C24, N29
- N29, C30
- C30, C31
- C31, O32
- C30, H35
- C30, C33
- N29, H34
- C31, N36
- N36, C37
- C37, C38
- C38, O39
- C37, H42
- C37, C40
- N36, H41
- C38, N43
- N43, C44
- C44, C45
- C45, O46
- C44, H49
- C44, C47
- N43, H48
- C45, N50
- N50, C51
- C51, C52
- C52, O53
- C51, H56
- C51, C54
- N50, H55
- C52, N57
- N57, C58
- C58, C59
- C59, O60
- C58, H63
- C58, C61
- N57, H62
- C59, N64
- N64, C65
- C65, C66
- C66, O67
- C65, H70
- C65, C68
- N64, H69
- C66, N71
-