REMARK Name = BDB022575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.008 -0.451 -0.646 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.577 0.897 -0.577 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.787 1.210 -0.558 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.763 0.201 -0.619 0.00 0.00 -0.013 A ATOM 5 C LIG 1 1.328 -1.131 -0.699 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.034 -1.451 -0.713 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -4.988 -2.900 -2.376 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -4.406 -2.045 -1.243 0.00 0.00 +0.071 C ATOM 9 N LIG 1 -4.664 -2.533 0.136 0.00 0.00 -0.297 NA ATOM 10 C LIG 1 -5.119 -3.905 0.284 0.00 0.00 +0.105 C ATOM 11 C LIG 1 -3.636 -2.115 1.124 0.00 0.00 +0.071 C ATOM 12 C LIG 1 -2.576 -3.181 1.453 0.00 0.00 +0.026 C ATOM 13 C LIG 1 -2.954 -0.764 0.765 0.00 0.00 +0.123 C ATOM 14 N LIG 1 -2.390 -0.730 -0.608 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.905 -1.758 -1.531 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.199 0.529 -0.591 0.00 0.00 +0.018 A ATOM 17 C LIG 1 3.762 1.466 -1.470 0.00 0.00 +0.131 A ATOM 18 F LIG 1 3.000 2.077 -2.390 0.00 0.00 -0.205 F ATOM 19 C LIG 1 5.119 1.788 -1.432 0.00 0.00 +0.040 A ATOM 20 C LIG 1 5.958 1.164 -0.509 0.00 0.00 +0.016 A ATOM 21 C LIG 1 5.434 0.208 0.368 0.00 0.00 +0.037 A ATOM 22 C LIG 1 4.061 -0.092 0.332 0.00 0.00 +0.024 A BRANCH 21 23 ATOM 23 C LIG 1 6.280 -0.495 1.374 0.00 0.00 +0.244 C ATOM 24 N LIG 1 7.614 -0.658 1.046 0.00 0.00 -0.308 N ATOM 25 H LIG 1 7.928 -0.428 0.113 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 5.774 -0.917 2.408 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 8.518 -1.365 1.897 0.00 0.00 +0.073 C ATOM 28 C LIG 1 8.921 -2.777 1.575 0.00 0.00 +0.024 C ATOM 29 C LIG 1 9.921 -1.666 1.447 0.00 0.00 +0.024 C ENDBRANCH 24 27 ENDBRANCH 21 23 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -1.601 1.869 -0.564 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.523 1.448 -0.651 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.484 3.232 -0.481 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.468 3.906 -0.383 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.810 3.905 -0.537 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.666 4.080 0.629 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.854 4.700 0.483 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.288 5.203 -0.845 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.368 5.759 -0.990 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.406 4.998 -1.877 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.696 5.354 -2.782 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.193 4.370 -1.736 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.184 3.574 1.953 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.041 2.224 1.951 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.057 3.858 2.957 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.995 4.109 2.316 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7