REMARK Name = BDB010496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.658 -1.149 -0.064 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.547 -0.364 -0.369 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.580 -0.983 0.161 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.071 -2.109 0.784 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.800 -3.001 1.466 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.089 -2.674 1.506 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.693 -1.608 0.929 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.958 -0.732 0.211 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.272 -2.212 0.625 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.378 -1.673 -0.447 0.00 0.00 -0.038 A ATOM 11 C LIG 1 4.030 -1.901 -0.144 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.075 -0.914 -0.405 0.00 0.00 +0.110 A ATOM 13 N LIG 1 3.403 0.277 -0.942 0.00 0.00 -0.216 NA ATOM 14 C LIG 1 4.705 0.483 -1.226 0.00 0.00 +0.214 A ATOM 15 F LIG 1 5.032 1.667 -1.763 0.00 0.00 -0.184 F ATOM 16 C LIG 1 5.712 -0.439 -1.005 0.00 0.00 +0.063 A BRANCH 10 18 ATOM 17 C LIG 1 7.104 -3.209 -1.448 0.00 0.00 +0.012 C ATOM 18 C LIG 1 6.415 -2.742 -0.164 0.00 0.00 +0.013 C ATOM 19 C LIG 1 7.444 -2.266 0.865 0.00 0.00 +0.012 C ENDBRANCH 10 18 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -2.982 -3.568 2.276 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -4.271 -3.229 2.436 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -4.727 -2.402 2.091 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -4.845 -4.196 3.162 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -6.014 -4.232 3.510 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -3.894 -5.143 3.450 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -2.676 -4.688 2.847 0.00 0.00 -0.051 NA ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 N LIG 1 -2.566 0.351 -0.394 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.054 0.719 -1.180 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.016 0.477 -0.584 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.759 0.650 0.736 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.590 -0.596 -1.514 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.030 -0.370 -2.063 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.165 -1.905 -2.131 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.115 -1.971 -1.003 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.531 0.876 -1.130 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 0.314 2.140 -0.275 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.029 3.332 -1.184 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.250 4.612 -0.381 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.956 4.941 0.507 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.687 6.192 1.341 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.305 3.753 1.411 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.530 2.476 0.601 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 8