REMARK Name = BDB009426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.937 -0.140 -0.822 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.202 -0.992 -1.889 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.640 -0.791 -3.090 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.057 -2.077 -1.725 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.669 -2.298 -0.489 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.444 -1.427 0.589 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.561 -0.349 0.415 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.906 1.288 -3.265 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.453 0.592 -2.360 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.144 0.693 -1.902 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.451 -0.323 -1.093 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.954 -0.436 -1.427 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.262 0.857 -1.358 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.066 1.035 -0.987 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.561 2.138 -0.762 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.071 2.053 -1.605 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.309 1.763 -2.460 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.361 -0.396 -1.752 0.00 0.00 +0.059 A ATOM 19 C LIG 1 7.121 -1.232 -2.574 0.00 0.00 +0.063 A ATOM 20 C LIG 1 7.991 -2.142 -1.982 0.00 0.00 +0.154 A ATOM 21 C LIG 1 8.070 -2.172 -0.590 0.00 0.00 +0.171 A ATOM 22 CL LIG 1 9.095 -3.266 0.249 0.00 0.00 -0.058 Cl ATOM 23 N LIG 1 7.362 -1.355 0.228 0.00 0.00 -0.239 NA ATOM 24 C LIG 1 6.537 -0.469 -0.377 0.00 0.00 +0.125 A BRANCH 20 25 ATOM 25 O LIG 1 8.741 -2.981 -2.756 0.00 0.00 -0.504 OA ATOM 26 H LIG 1 8.627 -2.752 -3.694 0.00 0.00 +0.292 HD ENDBRANCH 20 25 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -3.115 -1.699 1.920 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -3.548 -0.451 2.678 0.00 0.00 +0.087 A ATOM 29 C LIG 1 -4.767 0.298 2.213 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -5.464 -0.079 1.069 0.00 0.00 -0.342 N ATOM 31 H LIG 1 -4.880 -0.529 0.367 0.00 0.00 +0.146 HD ATOM 32 C LIG 1 -6.448 0.830 0.486 0.00 0.00 +0.102 C ATOM 33 C LIG 1 -7.265 1.475 1.602 0.00 0.00 +0.023 C ATOM 34 C LIG 1 -6.354 2.167 2.625 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -5.141 1.346 2.964 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -4.346 1.743 4.147 0.00 0.00 +0.270 A ATOM 37 O LIG 1 -4.663 2.699 4.847 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -3.232 0.989 4.403 0.00 0.00 -0.243 N ATOM 39 H LIG 1 -2.675 1.247 5.212 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -2.827 -0.108 3.706 0.00 0.00 -0.174 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5