REMARK Name = BDB004832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.640 0.625 -0.661 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.092 0.146 -0.572 0.00 0.00 -0.024 A ATOM 3 C LIG 1 2.402 -1.016 0.159 0.00 0.00 +0.028 A ATOM 4 C LIG 1 3.719 -1.493 0.247 0.00 0.00 +0.034 A ATOM 5 C LIG 1 4.734 -0.791 -0.403 0.00 0.00 +0.023 A ATOM 6 C LIG 1 4.443 0.365 -1.132 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.132 0.831 -1.219 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.921 -2.676 0.992 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.085 -3.071 1.408 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.117 -3.338 1.223 0.00 0.00 +0.254 C ATOM 11 O LIG 1 6.218 -2.973 0.829 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.022 -4.595 2.018 0.00 0.00 +0.107 A ATOM 13 C LIG 1 3.939 -4.868 2.858 0.00 0.00 +0.138 A ATOM 14 F LIG 1 2.919 -4.004 2.968 0.00 0.00 -0.205 F ATOM 15 C LIG 1 3.873 -6.045 3.606 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.903 -6.978 3.525 0.00 0.00 +0.006 A ATOM 17 C LIG 1 5.990 -6.726 2.692 0.00 0.00 +0.039 A ATOM 18 C LIG 1 6.045 -5.544 1.947 0.00 0.00 +0.138 A ATOM 19 F LIG 1 7.104 -5.376 1.141 0.00 0.00 -0.205 F ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 0.612 2.036 -0.216 0.00 0.00 -0.320 N ATOM 21 H LIG 1 1.362 2.205 0.453 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.578 2.512 0.374 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -0.661 3.869 0.751 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -1.875 4.293 1.327 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -1.976 5.647 1.710 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -0.904 6.544 1.533 0.00 0.00 +0.015 A ATOM 27 C LIG 1 0.281 6.119 0.956 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -2.892 3.420 1.496 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.705 2.157 1.098 0.00 0.00 +0.223 A ATOM 30 C LIG 1 0.400 4.793 0.565 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.599 1.665 0.547 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -3.207 6.231 2.327 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -3.201 7.348 2.836 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.355 5.495 2.312 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -5.142 5.839 2.844 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -4.315 4.505 2.085 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 0.149 0.468 -2.132 0.00 0.00 +0.137 C BRANCH 37 39 ATOM 38 C LIG 1 -1.860 1.728 -2.909 0.00 0.00 +0.135 C ATOM 39 N LIG 1 -1.301 0.525 -2.316 0.00 0.00 -0.268 N ATOM 40 C LIG 1 -2.056 -0.550 -1.885 0.00 0.00 +0.403 C ATOM 41 O LIG 1 -1.565 -1.545 -1.364 0.00 0.00 -0.226 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.383 -0.384 -2.121 0.00 0.00 -0.445 OA BRANCH 42 43 ATOM 43 C LIG 1 -4.340 -1.415 -1.777 0.00 0.00 +0.107 C ATOM 44 C LIG 1 -4.375 -1.666 -0.266 0.00 0.00 +0.055 C ATOM 45 C LIG 1 -5.699 -0.841 -2.209 0.00 0.00 +0.055 C ATOM 46 C LIG 1 -4.081 -2.703 -2.567 0.00 0.00 +0.055 C ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 10