COMPND HMDB0060241 HETATM 1 C1 UNL 1 21.095 -3.975 -0.780 1.00 0.00 C HETATM 2 C2 UNL 1 19.769 -3.374 -1.247 1.00 0.00 C HETATM 3 C3 UNL 1 19.953 -1.895 -1.375 1.00 0.00 C HETATM 4 C4 UNL 1 18.690 -1.216 -1.836 1.00 0.00 C HETATM 5 C5 UNL 1 17.586 -1.488 -0.853 1.00 0.00 C HETATM 6 C6 UNL 1 17.962 -1.011 0.511 1.00 0.00 C HETATM 7 C7 UNL 1 18.249 0.455 0.571 1.00 0.00 C HETATM 8 C8 UNL 1 17.044 1.257 0.169 1.00 0.00 C HETATM 9 C9 UNL 1 15.891 1.055 1.109 1.00 0.00 C HETATM 10 C10 UNL 1 14.667 1.851 0.742 1.00 0.00 C HETATM 11 C11 UNL 1 14.048 1.514 -0.568 1.00 0.00 C HETATM 12 C12 UNL 1 13.559 0.081 -0.615 1.00 0.00 C HETATM 13 C13 UNL 1 12.519 -0.188 0.458 1.00 0.00 C HETATM 14 C14 UNL 1 11.302 0.662 0.332 1.00 0.00 C HETATM 15 C15 UNL 1 10.251 0.462 1.356 1.00 0.00 C HETATM 16 C16 UNL 1 9.642 -0.872 1.485 1.00 0.00 C HETATM 17 C17 UNL 1 8.953 -1.419 0.271 1.00 0.00 C HETATM 18 C18 UNL 1 7.841 -0.523 -0.221 1.00 0.00 C HETATM 19 C19 UNL 1 6.787 -0.278 0.789 1.00 0.00 C HETATM 20 C20 UNL 1 5.723 0.634 0.199 1.00 0.00 C HETATM 21 C21 UNL 1 4.644 0.910 1.232 1.00 0.00 C HETATM 22 C22 UNL 1 3.576 1.772 0.684 1.00 0.00 C HETATM 23 C23 UNL 1 2.884 1.279 -0.507 1.00 0.00 C HETATM 24 C24 UNL 1 2.074 0.058 -0.343 1.00 0.00 C HETATM 25 O1 UNL 1 1.336 -0.241 -1.301 1.00 0.00 O HETATM 26 C25 UNL 1 2.120 -0.761 0.871 1.00 0.00 C HETATM 27 C26 UNL 1 1.005 -1.697 1.058 1.00 0.00 C HETATM 28 O2 UNL 1 0.432 -1.635 2.161 1.00 0.00 O HETATM 29 S1 UNL 1 0.412 -2.894 -0.115 1.00 0.00 S HETATM 30 C27 UNL 1 -1.151 -3.608 0.498 1.00 0.00 C HETATM 31 C28 UNL 1 -2.304 -2.750 0.192 1.00 0.00 C HETATM 32 N1 UNL 1 -2.216 -1.341 0.404 1.00 0.00 N HETATM 33 C29 UNL 1 -3.372 -0.542 0.336 1.00 0.00 C HETATM 34 O3 UNL 1 -4.505 -1.093 0.144 1.00 0.00 O HETATM 35 C30 UNL 1 -3.303 0.916 0.482 1.00 0.00 C HETATM 36 C31 UNL 1 -4.474 1.505 1.193 1.00 0.00 C HETATM 37 N2 UNL 1 -5.721 1.129 0.637 1.00 0.00 N HETATM 38 C32 UNL 1 -6.229 1.290 -0.675 1.00 0.00 C HETATM 39 O4 UNL 1 -5.600 1.822 -1.616 1.00 0.00 O HETATM 40 C33 UNL 1 -7.631 0.763 -0.907 1.00 0.00 C HETATM 41 O5 UNL 1 -7.692 0.588 -2.317 1.00 0.00 O HETATM 42 C34 UNL 1 -8.669 1.792 -0.515 1.00 0.00 C HETATM 43 C35 UNL 1 -8.539 2.990 -1.402 1.00 0.00 C HETATM 44 C36 UNL 1 -8.368 2.340 0.909 1.00 0.00 C HETATM 45 C37 UNL 1 -10.045 1.213 -0.437 1.00 0.00 C HETATM 46 O6 UNL 1 -10.041 0.205 0.535 1.00 0.00 O HETATM 47 P1 UNL 1 -11.503 -0.541 0.788 1.00 0.00 P HETATM 48 O7 UNL 1 -11.272 -2.060 0.869 1.00 0.00 O HETATM 49 O8 UNL 1 -12.545 -0.279 -0.512 1.00 0.00 O HETATM 50 O9 UNL 1 -12.259 -0.014 2.210 1.00 0.00 O HETATM 51 P2 UNL 1 -13.203 1.369 1.926 1.00 0.00 P HETATM 52 O10 UNL 1 -12.381 2.628 2.082 1.00 0.00 O HETATM 53 O11 UNL 1 -14.503 1.469 3.018 1.00 0.00 O HETATM 54 O12 UNL 1 -13.765 1.274 0.352 1.00 0.00 O HETATM 55 C38 UNL 1 -15.087 1.680 0.234 1.00 0.00 C HETATM 56 C39 UNL 1 -15.570 1.547 -1.196 1.00 0.00 C HETATM 57 O13 UNL 1 -15.467 0.266 -1.644 1.00 0.00 O HETATM 58 C40 UNL 1 -16.622 -0.421 -1.310 1.00 0.00 C HETATM 59 N3 UNL 1 -16.272 -1.298 -0.212 1.00 0.00 N HETATM 60 C41 UNL 1 -16.748 -1.387 1.036 1.00 0.00 C HETATM 61 N4 UNL 1 -16.106 -2.371 1.733 1.00 0.00 N HETATM 62 C42 UNL 1 -15.212 -2.915 0.920 1.00 0.00 C HETATM 63 C43 UNL 1 -14.297 -3.945 1.115 1.00 0.00 C HETATM 64 N5 UNL 1 -14.194 -4.621 2.346 1.00 0.00 N HETATM 65 N6 UNL 1 -13.523 -4.248 0.045 1.00 0.00 N HETATM 66 C44 UNL 1 -13.612 -3.612 -1.136 1.00 0.00 C HETATM 67 N7 UNL 1 -14.508 -2.610 -1.307 1.00 0.00 N HETATM 68 C45 UNL 1 -15.299 -2.266 -0.289 1.00 0.00 C HETATM 69 C46 UNL 1 -17.690 0.560 -1.036 1.00 0.00 C HETATM 70 O14 UNL 1 -18.719 0.394 -1.992 1.00 0.00 O HETATM 71 C47 UNL 1 -17.053 1.900 -1.220 1.00 0.00 C HETATM 72 O15 UNL 1 -17.289 2.345 -2.529 1.00 0.00 O HETATM 73 P3 UNL 1 -17.660 3.997 -2.535 1.00 0.00 P HETATM 74 O16 UNL 1 -17.221 4.538 -3.880 1.00 0.00 O HETATM 75 O17 UNL 1 -16.802 4.808 -1.327 1.00 0.00 O HETATM 76 O18 UNL 1 -19.324 4.234 -2.417 1.00 0.00 O HETATM 77 H1 UNL 1 21.929 -3.496 -1.306 1.00 0.00 H HETATM 78 H2 UNL 1 21.163 -3.812 0.325 1.00 0.00 H HETATM 79 H3 UNL 1 21.056 -5.067 -0.927 1.00 0.00 H HETATM 80 H4 UNL 1 19.027 -3.600 -0.469 1.00 0.00 H HETATM 81 H5 UNL 1 19.517 -3.784 -2.249 1.00 0.00 H HETATM 82 H6 UNL 1 20.295 -1.491 -0.407 1.00 0.00 H HETATM 83 H7 UNL 1 20.769 -1.666 -2.120 1.00 0.00 H HETATM 84 H8 UNL 1 18.827 -0.119 -1.914 1.00 0.00 H HETATM 85 H9 UNL 1 18.392 -1.592 -2.853 1.00 0.00 H HETATM 86 H10 UNL 1 16.643 -0.979 -1.188 1.00 0.00 H HETATM 87 H11 UNL 1 17.354 -2.591 -0.869 1.00 0.00 H HETATM 88 H12 UNL 1 18.841 -1.581 0.925 1.00 0.00 H HETATM 89 H13 UNL 1 17.121 -1.314 1.200 1.00 0.00 H HETATM 90 H14 UNL 1 19.105 0.682 -0.121 1.00 0.00 H HETATM 91 H15 UNL 1 18.532 0.763 1.622 1.00 0.00 H HETATM 92 H16 UNL 1 16.795 0.989 -0.878 1.00 0.00 H HETATM 93 H17 UNL 1 17.378 2.326 0.143 1.00 0.00 H HETATM 94 H18 UNL 1 15.658 -0.010 1.224 1.00 0.00 H HETATM 95 H19 UNL 1 16.198 1.421 2.131 1.00 0.00 H HETATM 96 H20 UNL 1 14.870 2.945 0.738 1.00 0.00 H HETATM 97 H21 UNL 1 13.919 1.691 1.556 1.00 0.00 H HETATM 98 H22 UNL 1 13.191 2.185 -0.739 1.00 0.00 H HETATM 99 H23 UNL 1 14.739 1.714 -1.434 1.00 0.00 H HETATM 100 H24 UNL 1 14.435 -0.573 -0.436 1.00 0.00 H HETATM 101 H25 UNL 1 13.117 -0.087 -1.630 1.00 0.00 H HETATM 102 H26 UNL 1 12.254 -1.282 0.314 1.00 0.00 H HETATM 103 H27 UNL 1 13.025 -0.126 1.419 1.00 0.00 H HETATM 104 H28 UNL 1 10.889 0.624 -0.719 1.00 0.00 H HETATM 105 H29 UNL 1 11.635 1.733 0.429 1.00 0.00 H HETATM 106 H30 UNL 1 10.730 0.697 2.363 1.00 0.00 H HETATM 107 H31 UNL 1 9.509 1.288 1.249 1.00 0.00 H HETATM 108 H32 UNL 1 10.425 -1.626 1.780 1.00 0.00 H HETATM 109 H33 UNL 1 8.970 -0.850 2.381 1.00 0.00 H HETATM 110 H34 UNL 1 8.531 -2.433 0.488 1.00 0.00 H HETATM 111 H35 UNL 1 9.673 -1.544 -0.554 1.00 0.00 H HETATM 112 H36 UNL 1 8.234 0.427 -0.625 1.00 0.00 H HETATM 113 H37 UNL 1 7.390 -1.068 -1.104 1.00 0.00 H HETATM 114 H38 UNL 1 6.257 -1.256 0.983 1.00 0.00 H HETATM 115 H39 UNL 1 7.129 0.048 1.770 1.00 0.00 H HETATM 116 H40 UNL 1 6.136 1.589 -0.184 1.00 0.00 H HETATM 117 H41 UNL 1 5.272 0.103 -0.657 1.00 0.00 H HETATM 118 H42 UNL 1 4.362 0.017 1.729 1.00 0.00 H HETATM 119 H43 UNL 1 5.196 1.586 2.037 1.00 0.00 H HETATM 120 H44 UNL 1 2.830 2.053 1.503 1.00 0.00 H HETATM 121 H45 UNL 1 4.067 2.780 0.454 1.00 0.00 H HETATM 122 H46 UNL 1 2.267 2.086 -1.020 1.00 0.00 H HETATM 123 H47 UNL 1 3.616 1.015 -1.354 1.00 0.00 H HETATM 124 H48 UNL 1 3.036 -1.442 0.846 1.00 0.00 H HETATM 125 H49 UNL 1 2.162 -0.082 1.741 1.00 0.00 H HETATM 126 H50 UNL 1 -1.086 -3.781 1.609 1.00 0.00 H HETATM 127 H51 UNL 1 -1.262 -4.590 -0.035 1.00 0.00 H HETATM 128 H52 UNL 1 -2.613 -2.860 -0.904 1.00 0.00 H HETATM 129 H53 UNL 1 -3.218 -3.090 0.765 1.00 0.00 H HETATM 130 H54 UNL 1 -1.318 -0.861 0.572 1.00 0.00 H HETATM 131 H55 UNL 1 -2.392 1.122 1.126 1.00 0.00 H HETATM 132 H56 UNL 1 -3.116 1.420 -0.505 1.00 0.00 H HETATM 133 H57 UNL 1 -4.352 2.630 1.217 1.00 0.00 H HETATM 134 H58 UNL 1 -4.445 1.191 2.282 1.00 0.00 H HETATM 135 H59 UNL 1 -6.394 0.634 1.315 1.00 0.00 H HETATM 136 H60 UNL 1 -7.788 -0.190 -0.434 1.00 0.00 H HETATM 137 H61 UNL 1 -7.522 1.458 -2.776 1.00 0.00 H HETATM 138 H62 UNL 1 -7.522 3.381 -1.431 1.00 0.00 H HETATM 139 H63 UNL 1 -9.180 3.798 -0.942 1.00 0.00 H HETATM 140 H64 UNL 1 -8.994 2.825 -2.408 1.00 0.00 H HETATM 141 H65 UNL 1 -9.163 3.116 1.068 1.00 0.00 H HETATM 142 H66 UNL 1 -8.549 1.553 1.643 1.00 0.00 H HETATM 143 H67 UNL 1 -7.374 2.769 0.975 1.00 0.00 H HETATM 144 H68 UNL 1 -10.249 0.689 -1.413 1.00 0.00 H HETATM 145 H69 UNL 1 -10.833 1.961 -0.301 1.00 0.00 H HETATM 146 H70 UNL 1 -12.058 -0.348 -1.392 1.00 0.00 H HETATM 147 H71 UNL 1 -15.085 0.669 2.968 1.00 0.00 H HETATM 148 H72 UNL 1 -15.057 2.800 0.419 1.00 0.00 H HETATM 149 H73 UNL 1 -15.771 1.289 0.985 1.00 0.00 H HETATM 150 H74 UNL 1 -14.995 2.262 -1.812 1.00 0.00 H HETATM 151 H75 UNL 1 -16.891 -1.082 -2.169 1.00 0.00 H HETATM 152 H76 UNL 1 -17.549 -0.764 1.453 1.00 0.00 H HETATM 153 H77 UNL 1 -14.675 -5.526 2.476 1.00 0.00 H HETATM 154 H78 UNL 1 -13.640 -4.215 3.121 1.00 0.00 H HETATM 155 H79 UNL 1 -12.944 -3.926 -1.956 1.00 0.00 H HETATM 156 H80 UNL 1 -18.117 0.426 -0.023 1.00 0.00 H HETATM 157 H81 UNL 1 -18.313 -0.051 -2.773 1.00 0.00 H HETATM 158 H82 UNL 1 -17.290 2.653 -0.453 1.00 0.00 H HETATM 159 H83 UNL 1 -17.462 5.021 -0.596 1.00 0.00 H HETATM 160 H84 UNL 1 -19.693 4.170 -3.348 1.00 0.00 H CONECT 1 2 77 78 79 CONECT 2 3 80 81 CONECT 3 4 82 83 CONECT 4 5 84 85 CONECT 5 6 86 87 CONECT 6 7 88 89 CONECT 7 8 90 91 CONECT 8 9 92 93 CONECT 9 10 94 95 CONECT 10 11 96 97 CONECT 11 12 98 99 CONECT 12 13 100 101 CONECT 13 14 102 103 CONECT 14 15 104 105 CONECT 15 16 106 107 CONECT 16 17 108 109 CONECT 17 18 110 111 CONECT 18 19 112 113 CONECT 19 20 114 115 CONECT 20 21 116 117 CONECT 21 22 118 119 CONECT 22 23 120 121 CONECT 23 24 122 123 CONECT 24 25 25 26 CONECT 26 27 124 125 CONECT 27 28 28 29 CONECT 29 30 CONECT 30 31 126 127 CONECT 31 32 128 129 CONECT 32 33 130 CONECT 33 34 34 35 CONECT 35 36 131 132 CONECT 36 37 133 134 CONECT 37 38 135 CONECT 38 39 39 40 CONECT 40 41 42 136 CONECT 41 137 CONECT 42 43 44 45 CONECT 43 138 139 140 CONECT 44 141 142 143 CONECT 45 46 144 145 CONECT 46 47 CONECT 47 48 48 49 50 CONECT 49 146 CONECT 50 51 CONECT 51 52 52 53 54 CONECT 53 147 CONECT 54 55 CONECT 55 56 148 149 CONECT 56 57 71 150 CONECT 57 58 CONECT 58 59 69 151 CONECT 59 60 68 CONECT 60 61 61 152 CONECT 61 62 CONECT 62 63 63 68 CONECT 63 64 65 CONECT 64 153 154 CONECT 65 66 66 CONECT 66 67 155 CONECT 67 68 68 CONECT 69 70 71 156 CONECT 70 157 CONECT 71 72 158 CONECT 72 73 CONECT 73 74 74 75 76 CONECT 75 159 CONECT 76 160 END