REMARK Name = BDB060931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.233 0.282 1.522 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.845 0.907 0.438 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -1.853 0.020 0.057 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.815 -1.048 0.943 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.769 -2.091 0.771 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -3.678 -2.047 -0.232 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.668 -0.904 -1.154 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.774 0.087 -0.992 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.854 -0.913 1.824 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.638 -3.091 -0.414 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.007 -2.955 -0.423 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.943 -1.827 -0.256 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.573 -4.175 -0.627 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.585 -5.133 -0.748 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.423 -4.480 -0.620 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -3.143 -5.223 -0.711 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.645 2.075 -0.247 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -1.342 2.364 -0.928 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 0.118 3.205 0.285 0.00 0.00 +0.072 C ATOM 20 C LIG 1 0.538 4.128 -0.873 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -0.618 4.938 -1.461 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.391 5.689 -0.383 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -1.862 4.756 0.727 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -0.698 3.973 1.333 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 0.944 0.670 2.351 0.00 0.00 +0.059 C BRANCH 25 26 ATOM 26 C LIG 1 2.285 0.377 1.675 0.00 0.00 +0.011 C BRANCH 26 27 ATOM 27 C LIG 1 2.546 -1.124 1.508 0.00 0.00 +0.035 C BRANCH 27 31 ATOM 28 C LIG 1 6.448 -1.817 -0.225 0.00 0.00 +0.120 A ATOM 29 C LIG 1 6.276 -1.822 1.161 0.00 0.00 +0.046 A ATOM 30 C LIG 1 5.017 -1.604 1.726 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.906 -1.380 0.907 0.00 0.00 -0.047 A ATOM 32 C LIG 1 4.082 -1.369 -0.483 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.344 -1.588 -1.046 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 7.951 -2.068 -2.047 0.00 0.00 +0.277 C ATOM 35 O LIG 1 7.731 -2.042 -0.643 0.00 0.00 -0.495 OA ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8