REMARK Name = BDB020479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.878 -0.426 -0.803 0.00 0.00 +0.117 A ATOM 2 N LIG 1 -1.718 -1.682 -1.319 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -2.639 -2.805 -1.298 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -2.456 -3.685 -2.539 0.00 0.00 +0.238 C ATOM 5 N LIG 1 -1.225 -3.634 -3.190 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -0.062 -2.997 -2.582 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -0.968 -4.570 -4.270 0.00 0.00 +0.132 C ATOM 8 O LIG 1 -3.369 -4.430 -2.903 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -2.454 -3.659 -0.048 0.00 0.00 +0.041 C ATOM 10 C LIG 1 -0.497 -1.744 -1.937 0.00 0.00 +0.064 A ATOM 11 C LIG 1 0.053 -0.494 -1.753 0.00 0.00 +0.094 A ATOM 12 N LIG 1 -0.809 0.306 -1.041 0.00 0.00 -0.232 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 1.355 -0.046 -2.211 0.00 0.00 +0.011 A ATOM 14 C LIG 1 2.334 0.448 -1.302 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.587 0.857 -1.794 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.567 1.312 -1.000 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.365 1.399 0.341 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.156 1.070 0.936 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.832 0.785 -3.158 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.872 0.324 -4.058 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.151 0.567 0.094 0.00 0.00 +0.022 A ATOM 22 C LIG 1 1.633 -0.089 -3.584 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.538 1.869 1.054 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.060 1.345 2.218 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.183 2.071 2.494 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.058 1.917 3.630 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.464 3.002 1.565 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.473 2.861 0.679 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.871 1.218 2.399 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.351 0.177 3.138 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.377 2.350 2.961 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 11 13 BRANCH 1 34 ATOM 32 N LIG 1 -3.628 1.069 1.787 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 -3.281 -0.321 1.409 0.00 0.00 +0.097 C ATOM 34 C LIG 1 -3.140 0.112 -0.063 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -3.035 1.542 0.508 0.00 0.00 +0.097 C BRANCH 32 36 ATOM 36 C LIG 1 -5.088 1.260 1.802 0.00 0.00 +0.112 C BRANCH 36 37 ATOM 37 C LIG 1 -5.472 2.693 2.203 0.00 0.00 +0.174 C BRANCH 37 39 ATOM 38 C LIG 1 -7.529 2.465 3.373 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -6.891 2.877 2.171 0.00 0.00 -0.382 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 1 34 TORSDOF 7