REMARK Name = BDB009402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.076 -0.778 -0.171 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.703 -2.041 0.281 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.180 -2.786 -0.400 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.232 -2.547 1.463 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.159 -1.794 2.188 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.578 -0.534 1.728 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.018 -0.027 0.545 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 4.990 0.142 -2.532 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.637 0.106 -2.182 0.00 0.00 -0.295 N ATOM 10 C LIG 1 3.176 -0.473 -0.912 0.00 0.00 +0.127 C ATOM 11 C LIG 1 1.775 0.018 -0.527 0.00 0.00 +0.127 C ATOM 12 N LIG 1 0.817 -0.125 -1.631 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.559 -0.247 -1.444 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -1.389 0.069 -2.293 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.273 0.439 -2.905 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.681 -0.034 -3.285 0.00 0.00 +0.127 C ATOM 17 O LIG 1 5.393 0.067 -3.690 0.00 0.00 -0.270 OA BRANCH 8 21 ATOM 18 C LIG 1 7.967 0.617 0.504 0.00 0.00 +0.120 A ATOM 19 C LIG 1 6.877 1.493 0.447 0.00 0.00 +0.046 A ATOM 20 C LIG 1 5.898 1.348 -0.537 0.00 0.00 +0.016 A ATOM 21 C LIG 1 5.999 0.305 -1.462 0.00 0.00 +0.037 A ATOM 22 C LIG 1 7.097 -0.559 -1.427 0.00 0.00 +0.016 A ATOM 23 C LIG 1 8.076 -0.408 -0.439 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 10.006 0.048 1.588 0.00 0.00 +0.277 C ATOM 25 O LIG 1 8.848 0.871 1.519 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 C LIG 1 -3.574 0.263 2.545 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -4.549 1.098 1.722 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -5.747 0.444 1.109 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -5.985 -1.032 1.262 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -7.066 -1.575 0.321 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -8.267 -0.640 0.260 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -7.853 0.752 -0.220 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -6.585 1.241 0.423 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -6.284 2.688 0.277 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -7.022 3.443 -0.346 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -5.136 3.124 0.882 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -4.912 4.109 0.791 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -4.273 2.363 1.605 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5