; Stick colour 2(0.700000, 0.700000, 0.700000) ; Model BS ; Definitions C = 52.244102, 20.897641(0.500000, 0.500000, 0.500000) H = 31.346461, 12.538585(1.000000, 1.000000, 1.000000) N = 52.244102, 20.897641(0.000000, 0.000000, 1.000000) O = 48.761162, 20.201053(1.000000, 0.000000, 0.000000) ; Instances O1 : 74.891398 -70.679827 -10.436979 O2 : 29.577302 -7.635476 -5.885821 N1 : 26.904145 -107.058789 -83.192116 C11 : 13.020798 -60.285689 -65.261243 C22 : -39.838392 -64.163246 -54.551202 C33 : -52.471364 -114.095025 -65.352148 C44 : -16.814764 -129.805871 -100.485610 C5 : 42.856708 -47.852637 -24.302215 C6 : 57.860866 10.633939 33.343579 C7 : 27.680145 44.854522 58.525585 C8 : 29.490925 92.027464 48.695683 C9 : -0.862202 122.370142 70.691843 C10 : -33.069298 106.459375 101.365749 C110 : -35.009644 59.566113 112.196996 C12 : -4.354546 28.943407 91.110580 H1 : 41.606332 -105.739800 -102.397048 H2 : 45.917864 -124.928710 -58.404379 H11 : 20.048674 -40.176934 -87.833830 H22 : -43.761924 -50.970914 -18.052079 H32 : -54.972115 -43.775159 -78.731862 H43 : -85.152837 -116.933273 -73.877689 H53 : -48.073456 -130.925288 -36.559726 H64 : -23.066642 -116.133590 -132.433575 H74 : -12.287639 -157.710143 -102.700412 H86 : 85.152837 25.385584 19.872612 H96 : 62.732803 -16.190622 57.190574 H108 : 50.660584 99.743221 26.547318 H119 : 1.077796 157.710143 60.224563 H1210 : -55.402955 129.726112 123.028244 H1311 : -58.852459 44.574494 132.433575 H1412 : -1.940172 -4.197465 99.059694 ; Bonds O1, C5 O2, C5 O2, C6 N1, C11 N1, C44 N1, H1 N1, H2 C11, C22 C11, C5 C11, H11 C22, C33 C22, H22 C22, H32 C33, C44 C33, H43 C33, H53 C44, H64 C44, H74 C6, C7 C6, H86 C6, H96 C7, C8 C7, C12 C8, C9 C8, H108 C9, C10 C9, H119 C10, C110 C10, H1210 C110, C12 C110, H1311 C12, H1412