REMARK Name = BDB005135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.131 -0.495 -2.152 0.00 0.00 -0.026 A ATOM 2 C LIG 1 0.197 -0.505 -1.675 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.797 -1.677 -1.189 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.053 -2.854 -1.170 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.265 -2.863 -1.633 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.851 -1.694 -2.120 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.132 -1.580 -0.738 0.00 0.00 -0.281 N ATOM 8 H LIG 1 2.554 -0.666 -0.822 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.940 -2.609 -0.288 0.00 0.00 +0.248 C ATOM 10 O LIG 1 2.670 -3.803 -0.257 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 4.295 -2.191 0.167 0.00 0.00 +0.040 A ATOM 12 C LIG 1 5.370 -3.055 -0.062 0.00 0.00 +0.055 A ATOM 13 C LIG 1 6.652 -2.699 0.354 0.00 0.00 +0.166 A ATOM 14 F LIG 1 7.643 -3.562 0.100 0.00 0.00 -0.202 F ATOM 15 C LIG 1 6.889 -1.490 1.011 0.00 0.00 +0.165 A ATOM 16 C LIG 1 5.803 -0.639 1.255 0.00 0.00 +0.049 A ATOM 17 C LIG 1 4.512 -0.984 0.841 0.00 0.00 +0.017 A BRANCH 15 18 ATOM 18 O LIG 1 8.081 -1.012 1.474 0.00 0.00 -0.403 OA BRANCH 18 19 ATOM 19 C LIG 1 9.248 -1.794 1.271 0.00 0.00 +0.575 C ATOM 20 F LIG 1 9.161 -2.977 1.912 0.00 0.00 -0.133 F ATOM 21 F LIG 1 9.490 -1.977 -0.043 0.00 0.00 -0.133 F ATOM 22 F LIG 1 10.298 -1.119 1.793 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -2.814 0.707 -3.741 0.00 0.00 +0.033 C ATOM 24 C LIG 1 -1.728 0.806 -2.666 0.00 0.00 +0.099 C BRANCH 24 25 ATOM 25 N LIG 1 -2.079 1.723 -1.571 0.00 0.00 -0.322 N ATOM 26 H LIG 1 -1.273 1.861 -0.967 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.189 1.481 -0.741 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -3.489 2.402 0.289 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -4.589 2.097 1.115 0.00 0.00 +0.088 A ATOM 30 C LIG 1 -4.891 2.995 2.160 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -4.136 4.167 2.362 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -3.069 4.469 1.533 0.00 0.00 +0.002 A ATOM 33 N LIG 1 -5.321 0.984 0.892 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 -4.971 0.202 -0.134 0.00 0.00 +0.223 A ATOM 35 C LIG 1 -2.749 3.594 0.504 0.00 0.00 +0.013 A ATOM 36 N LIG 1 -3.947 0.402 -0.960 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 -6.019 2.786 3.120 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -6.343 3.651 3.927 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -6.692 1.601 3.087 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -6.538 0.949 2.322 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -7.519 1.503 3.660 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8