REMARK Name = BDB037326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.340 2.306 0.646 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.944 1.065 0.397 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.429 0.088 -0.431 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.133 -1.109 -0.106 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.078 -0.841 0.811 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.704 0.354 -1.356 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.625 1.425 -0.750 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.117 0.514 0.899 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.931 2.538 0.080 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.571 3.566 0.344 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.870 -2.473 -0.621 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -1.787 -3.495 -0.400 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -3.103 -3.421 0.246 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -3.828 -4.659 -0.301 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -2.707 -5.672 -0.493 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -1.560 -4.806 -0.986 0.00 0.00 +0.109 C ATOM 17 O LIG 1 0.153 -2.705 -1.266 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -3.013 -3.495 1.722 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -2.961 -3.583 2.880 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.029 0.718 -2.679 0.00 0.00 -0.037 A ATOM 21 C LIG 1 -0.432 2.015 -2.978 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -1.072 2.282 -4.191 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -1.258 1.260 -5.115 0.00 0.00 +0.123 A ATOM 24 F LIG 1 -1.884 1.519 -6.270 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -0.807 -0.027 -4.854 0.00 0.00 +0.038 A ATOM 26 C LIG 1 -0.164 -0.296 -3.644 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.330 1.121 1.310 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -3.758 2.317 0.722 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -4.976 2.884 1.105 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -5.776 2.249 2.058 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.368 1.040 2.620 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.152 0.467 2.240 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.637 0.822 0.136 0.00 0.00 -0.299 N ATOM 34 H LIG 1 2.447 0.785 1.131 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.889 0.492 -0.337 0.00 0.00 +0.245 C ATOM 36 O LIG 1 4.233 0.625 -1.507 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.850 -0.026 0.669 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.200 0.328 0.540 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.149 -0.135 1.465 0.00 0.00 +0.056 A ATOM 40 C LIG 1 6.722 -0.975 2.509 0.00 0.00 +0.012 A ATOM 41 C LIG 1 5.379 -1.347 2.626 0.00 0.00 +0.001 A ATOM 42 C LIG 1 4.441 -0.874 1.707 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 8.604 0.253 1.349 0.00 0.00 +0.417 C ATOM 44 F LIG 1 9.407 -0.809 1.055 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.093 0.780 2.508 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.849 1.185 0.386 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -1.166 4.626 1.111 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.773 3.264 1.673 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8