REMARK Name = BDB037353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.847 -1.553 -1.560 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.558 -0.425 -1.140 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.188 0.407 -0.105 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.051 1.533 -0.215 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -2.883 1.404 -1.262 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -0.053 0.110 0.815 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.492 -1.335 0.630 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.736 0.114 -1.659 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.120 -2.076 -0.692 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.716 -3.153 -0.933 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.963 1.242 0.625 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.444 1.894 1.777 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.374 2.930 1.682 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.839 3.307 0.433 0.00 0.00 +0.123 A ATOM 15 F LIG 1 3.722 4.316 0.345 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.405 2.669 -0.719 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.475 1.627 -0.627 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.807 -0.508 -2.352 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.646 0.275 -3.167 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.713 -0.322 -3.840 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.964 -1.688 -3.678 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.161 -2.463 -2.833 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.083 -1.876 -2.163 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.966 -1.439 0.696 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.411 -1.960 -0.062 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.692 -1.273 1.849 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.196 -1.134 2.967 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.173 -1.295 1.664 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.999 -1.725 2.716 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.396 -1.787 2.546 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.943 -1.410 1.304 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.129 -0.949 0.266 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.745 -0.886 0.445 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.290 -2.315 3.645 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.901 -1.932 4.903 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.588 -1.916 3.517 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.315 -3.678 3.654 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.299 -2.235 -3.708 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.992 -2.175 -2.893 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.116 2.780 0.622 0.00 0.00 +0.174 C BRANCH 40 41 ATOM 41 N LIG 1 -3.112 2.606 1.727 0.00 0.00 -0.261 N BRANCH 41 42 ATOM 42 C LIG 1 -2.757 2.047 2.901 0.00 0.00 +0.169 C ATOM 43 N LIG 1 -2.368 1.581 3.892 0.00 0.00 -0.174 NA ENDBRANCH 41 42 BRANCH 41 44 ATOM 44 C LIG 1 -4.533 2.612 1.247 0.00 0.00 +0.150 C BRANCH 44 45 ATOM 45 C LIG 1 -5.468 3.396 2.170 0.00 0.00 +0.233 C ATOM 46 F LIG 1 -6.736 3.346 1.634 0.00 0.00 -0.247 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11