REMARK Name = BDB037562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.072 -2.253 0.639 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.891 -1.225 0.650 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.574 0.124 0.554 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.798 0.846 0.571 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.818 -0.018 0.616 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.824 0.631 0.462 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.791 -0.426 1.013 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.273 -1.252 0.708 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.427 -1.857 0.561 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.327 -2.637 0.222 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.975 2.318 0.568 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.207 2.887 0.217 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -4.342 2.163 -0.401 0.00 0.00 +0.193 C ATOM 14 C LIG 1 -5.103 3.084 -1.398 0.00 0.00 +0.118 C ATOM 15 N LIG 1 -5.561 4.389 -0.886 0.00 0.00 -0.312 NA ATOM 16 H LIG 1 -5.543 5.075 -1.641 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -4.755 4.862 0.249 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -3.308 4.348 0.266 0.00 0.00 +0.124 C ATOM 19 O LIG 1 -1.032 3.050 0.876 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 -5.286 1.623 0.608 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -6.038 1.196 1.386 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 6 22 ATOM 22 C LIG 1 1.037 1.028 -1.000 0.00 0.00 -0.037 A ATOM 23 C LIG 1 1.348 2.371 -1.288 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.572 2.793 -2.600 0.00 0.00 +0.038 A ATOM 25 C LIG 1 1.491 1.874 -3.635 0.00 0.00 +0.123 A ATOM 26 F LIG 1 1.702 2.277 -4.895 0.00 0.00 -0.205 F ATOM 27 C LIG 1 1.192 0.542 -3.384 0.00 0.00 +0.038 A ATOM 28 C LIG 1 0.968 0.118 -2.071 0.00 0.00 +0.007 A ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 C LIG 1 -3.247 -2.336 0.842 0.00 0.00 +0.114 C ATOM 30 C LIG 1 -3.464 -3.089 -0.477 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -4.021 -4.492 -0.295 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -4.606 -4.660 0.989 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -3.631 -4.565 2.020 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -3.085 -3.152 2.127 0.00 0.00 +0.055 C ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 N LIG 1 3.198 -0.177 0.685 0.00 0.00 -0.299 N ATOM 36 H LIG 1 3.695 -0.954 0.259 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 3.889 0.882 1.219 0.00 0.00 +0.245 C ATOM 38 O LIG 1 3.381 1.689 1.988 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 5.322 0.999 0.837 0.00 0.00 +0.037 A ATOM 40 C LIG 1 5.804 0.514 -0.387 0.00 0.00 +0.025 A ATOM 41 C LIG 1 7.161 0.655 -0.725 0.00 0.00 +0.056 A ATOM 42 C LIG 1 8.028 1.279 0.186 0.00 0.00 +0.012 A ATOM 43 C LIG 1 7.547 1.776 1.398 0.00 0.00 +0.001 A ATOM 44 C LIG 1 6.196 1.643 1.720 0.00 0.00 +0.013 A BRANCH 41 45 ATOM 45 C LIG 1 7.682 0.114 -2.035 0.00 0.00 +0.417 C ATOM 46 F LIG 1 8.028 -1.200 -1.947 0.00 0.00 -0.166 F ATOM 47 F LIG 1 8.791 0.765 -2.483 0.00 0.00 -0.166 F ATOM 48 F LIG 1 6.770 0.195 -3.043 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 50 ATOM 49 C LIG 1 0.367 -4.511 1.650 0.00 0.00 +0.025 C ATOM 50 C LIG 1 -0.158 -3.684 0.479 0.00 0.00 +0.112 C ENDBRANCH 1 50 TORSDOF 8