REMARK Name = BDB034373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.832 -1.270 -0.712 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.069 -0.560 -0.778 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.143 -1.161 -1.476 0.00 0.00 +0.073 A ATOM 4 C LIG 1 4.351 -0.483 -1.582 0.00 0.00 +0.032 A ATOM 5 C LIG 1 4.561 0.780 -1.009 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.518 1.367 -0.298 0.00 0.00 +0.005 A ATOM 7 N LIG 1 3.061 -2.371 -2.045 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.907 -3.048 -1.909 0.00 0.00 +0.113 A ATOM 9 C LIG 1 2.292 0.707 -0.183 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.794 -2.555 -1.254 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.260 -0.728 -0.012 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.278 0.287 -0.059 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.609 -1.291 -0.082 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.285 -0.947 -1.411 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.681 -1.564 -1.538 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.611 -1.183 -0.474 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -5.452 -1.758 -0.554 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.044 0.219 -0.584 0.00 0.00 +0.120 C BRANCH 18 21 ATOM 19 C LIG 1 -8.169 1.580 1.193 0.00 0.00 +0.162 A ATOM 20 C LIG 1 -7.248 1.226 0.193 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -6.049 0.571 0.489 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -5.774 0.290 1.837 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -6.681 0.633 2.841 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -7.879 1.276 2.522 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 -10.243 2.618 1.725 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -9.300 2.212 0.738 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 -7.543 1.541 -1.110 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 -8.416 1.979 -1.070 0.00 0.00 +0.292 HD ENDBRANCH 20 27 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 5.898 1.470 -1.139 0.00 0.00 +0.070 C BRANCH 29 30 ATOM 30 C LIG 1 6.958 0.923 -0.210 0.00 0.00 -0.043 A ATOM 31 C LIG 1 7.954 0.059 -0.691 0.00 0.00 +0.016 A ATOM 32 C LIG 1 8.942 -0.455 0.165 0.00 0.00 +0.055 A ATOM 33 C LIG 1 8.911 -0.108 1.523 0.00 0.00 +0.012 A ATOM 34 C LIG 1 7.922 0.745 2.012 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.951 1.257 1.151 0.00 0.00 +0.004 A BRANCH 32 36 ATOM 36 C LIG 1 9.997 -1.395 -0.364 0.00 0.00 +0.417 C ATOM 37 F LIG 1 11.156 -1.359 0.352 0.00 0.00 -0.166 F ATOM 38 F LIG 1 10.353 -1.125 -1.653 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.592 -2.695 -0.353 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 12