REMARK Name = BDB004973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.369 -0.314 2.006 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.289 0.398 1.463 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.973 0.387 2.081 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.147 -0.361 3.252 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.081 -1.075 3.794 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.171 -1.052 3.174 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.806 -0.803 1.697 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.599 -0.245 1.315 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.599 0.336 0.488 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.046 -1.405 2.736 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 7.099 -0.230 -1.017 0.00 0.00 +0.132 A ATOM 12 C LIG 1 5.806 -0.420 -1.536 0.00 0.00 +0.097 A ATOM 13 C LIG 1 4.724 -0.611 -0.652 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.925 -0.600 0.733 0.00 0.00 +0.038 A ATOM 15 C LIG 1 6.216 -0.427 1.236 0.00 0.00 +0.016 A ATOM 16 C LIG 1 7.296 -0.238 0.368 0.00 0.00 +0.047 A BRANCH 12 17 ATOM 17 C LIG 1 5.575 -0.432 -3.028 0.00 0.00 +0.421 C ATOM 18 F LIG 1 5.937 0.730 -3.639 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.257 -0.604 -3.350 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.234 -1.434 -3.671 0.00 0.00 -0.166 F ENDBRANCH 12 17 BRANCH 11 22 ATOM 21 C LIG 1 9.421 0.109 -1.465 0.00 0.00 +0.277 C ATOM 22 O LIG 1 8.090 -0.052 -1.942 0.00 0.00 -0.495 OA ENDBRANCH 11 22 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -2.135 1.150 1.485 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -3.090 0.194 0.940 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.633 -0.462 0.313 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.207 0.761 0.292 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -5.190 -0.085 -0.263 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -6.273 0.543 -0.909 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -7.258 -0.286 -1.485 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.172 -1.690 -1.407 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.112 -2.297 -0.753 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -6.346 1.893 -0.960 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -5.372 2.598 -0.372 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -5.130 -1.500 -0.184 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -4.307 2.099 0.251 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -8.456 0.244 -2.211 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -9.295 -0.506 -2.699 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -8.603 1.594 -2.325 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -7.928 2.229 -1.910 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -9.417 1.960 -2.798 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8