REMARK Name = BDB024175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.956 -1.118 0.731 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -0.681 -1.590 0.496 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -0.541 -2.581 0.340 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -2.240 0.063 0.930 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.509 -0.874 0.390 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.571 -1.649 0.114 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 2.777 -1.032 -0.009 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.022 0.338 0.127 0.00 0.00 +0.048 A ATOM 9 C LIG 1 1.881 1.092 0.412 0.00 0.00 +0.028 A ATOM 10 C LIG 1 0.621 0.495 0.546 0.00 0.00 +0.045 A BRANCH 8 11 ATOM 11 N LIG 1 4.275 0.905 -0.012 0.00 0.00 -0.326 N ATOM 12 C LIG 1 5.501 0.098 0.111 0.00 0.00 +0.120 C ATOM 13 C LIG 1 6.696 0.952 0.603 0.00 0.00 +0.103 C ATOM 14 N LIG 1 6.993 2.168 -0.184 0.00 0.00 -0.291 NA ATOM 15 C LIG 1 5.799 2.637 -0.920 0.00 0.00 +0.103 C ATOM 16 C LIG 1 4.459 2.353 -0.202 0.00 0.00 +0.120 C BRANCH 14 17 ATOM 17 C LIG 1 8.147 2.013 -1.107 0.00 0.00 +0.198 C BRANCH 17 18 ATOM 18 C LIG 1 9.558 1.849 -0.501 0.00 0.00 +0.402 C ATOM 19 F LIG 1 9.848 2.828 0.384 0.00 0.00 -0.169 F ATOM 20 F LIG 1 10.491 1.902 -1.483 0.00 0.00 -0.169 F ATOM 21 F LIG 1 9.709 0.660 0.123 0.00 0.00 -0.169 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 -3.029 -2.242 0.820 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -2.973 -3.286 -0.288 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -3.296 -4.621 0.008 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.259 -5.601 -0.985 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.909 -5.260 -2.289 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.603 -3.938 -2.604 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.640 -2.955 -1.613 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -4.382 -1.703 1.109 0.00 0.00 -0.302 NA ATOM 30 H LIG 1 -4.260 -0.838 1.646 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.266 -1.429 -0.027 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 -5.066 -0.083 -0.746 0.00 0.00 +0.050 C BRANCH 32 36 ATOM 33 C LIG 1 -6.474 3.366 1.458 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.116 3.228 1.159 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.663 2.114 0.447 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.557 1.119 0.032 0.00 0.00 -0.046 A ATOM 37 C LIG 1 -6.920 1.272 0.326 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.376 2.385 1.037 0.00 0.00 +0.019 A BRANCH 33 40 ATOM 39 N LIG 1 -7.319 5.435 2.775 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 -6.939 4.509 2.187 0.00 0.00 +0.099 C ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 11