REMARK Name = BDB051784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.157 -1.114 0.481 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.158 -1.242 0.038 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -1.224 -0.724 0.906 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -1.675 0.672 0.433 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.048 0.633 -0.994 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.356 0.517 -1.468 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -3.570 -0.013 -2.567 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -0.968 0.121 -1.851 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.531 -1.283 -1.389 0.00 0.00 +0.127 C ATOM 10 O LIG 1 1.463 -0.586 1.548 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.413 -1.221 -1.419 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.323 -0.759 -0.664 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.258 -1.617 -0.360 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.285 -2.939 -0.793 0.00 0.00 +0.135 A ATOM 15 F LIG 1 1.292 -3.788 -0.490 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.348 -3.406 -1.559 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.404 -2.549 -1.879 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 5.560 -0.305 -1.786 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 7.138 -1.447 0.484 0.00 0.00 +0.046 C ATOM 20 C LIG 1 6.797 0.013 0.509 0.00 0.00 -0.019 A ATOM 21 C LIG 1 7.134 0.866 1.496 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.845 0.517 2.772 0.00 0.00 +0.050 C ATOM 23 C LIG 1 6.783 2.311 1.376 0.00 0.00 +0.268 A ATOM 24 O LIG 1 7.096 3.128 2.236 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 6.105 2.679 0.248 0.00 0.00 -0.243 N ATOM 26 H LIG 1 5.857 3.658 0.158 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 5.719 1.854 -0.755 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 6.033 0.598 -0.648 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -4.559 1.051 -0.601 0.00 0.00 +0.099 C ATOM 30 C LIG 1 -5.808 1.212 -1.512 0.00 0.00 +0.032 C ATOM 31 C LIG 1 -6.625 2.376 -0.966 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -5.659 3.232 -0.166 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -4.303 2.533 -0.229 0.00 0.00 +0.032 C BRANCH 29 34 ATOM 34 N LIG 1 -4.730 0.145 0.562 0.00 0.00 -0.289 NA ATOM 35 C LIG 1 -5.032 -1.252 0.236 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -5.288 -1.876 1.602 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.653 -0.710 2.513 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.682 0.509 1.603 0.00 0.00 +0.085 C ENDBRANCH 29 34 ENDBRANCH 6 29 TORSDOF 5