REMARK Name = BDB034203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.299 1.649 -0.601 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.713 2.281 0.492 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.052 3.310 1.043 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.550 1.477 0.883 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.394 0.459 -0.051 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.358 -0.456 0.066 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.478 -0.326 1.146 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.661 0.712 2.086 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.703 1.633 1.959 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.443 0.576 -1.106 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.541 -0.292 -1.099 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.680 0.574 -1.225 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.958 0.683 -2.387 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.195 0.018 -3.109 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.790 1.383 -2.579 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.098 1.163 -3.573 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.328 2.291 -1.428 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.567 2.732 -0.640 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.315 1.520 -0.108 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.590 -1.135 1.419 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.009 -2.108 0.448 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.550 -2.330 0.553 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.984 -3.401 -0.481 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -1.960 -4.511 -0.720 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.030 -4.689 0.464 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.240 -3.413 0.742 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.332 -1.097 0.289 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.779 -1.296 0.582 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -4.792 0.108 1.238 0.00 0.00 +0.050 C ATOM 30 C LIG 1 -3.276 -0.147 1.434 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -5.299 1.344 0.364 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -6.572 1.903 0.578 0.00 0.00 +0.162 A ATOM 33 F LIG 1 -7.359 1.376 1.529 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -7.045 2.983 -0.167 0.00 0.00 +0.159 A ATOM 35 F LIG 1 -8.267 3.481 0.073 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -6.264 3.551 -1.162 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -5.002 3.025 -1.414 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -4.533 1.938 -0.662 0.00 0.00 +0.007 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5