REMARK Name = BDB001466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.145 3.422 -0.839 0.00 0.00 +0.026 A ATOM 2 C LIG 1 -0.091 2.843 -0.572 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.205 1.455 -0.354 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -1.558 0.981 0.017 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -2.055 -0.191 -0.541 0.00 0.00 -0.275 N ATOM 6 C LIG 1 -1.259 -0.992 -1.484 0.00 0.00 +0.194 C ATOM 7 C LIG 1 -0.100 -1.617 -0.695 0.00 0.00 +0.245 C ATOM 8 N LIG 1 0.898 -0.784 -0.184 0.00 0.00 -0.269 N ATOM 9 O LIG 1 -0.058 -2.846 -0.554 0.00 0.00 -0.273 OA ATOM 10 O LIG 1 -2.192 1.685 0.800 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 0.935 0.632 -0.378 0.00 0.00 +0.048 A ATOM 12 C LIG 1 2.175 1.245 -0.642 0.00 0.00 +0.025 A ATOM 13 C LIG 1 2.280 2.621 -0.874 0.00 0.00 +0.018 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -0.907 -0.307 -2.806 0.00 0.00 -0.018 A ATOM 15 C LIG 1 0.216 -0.706 -3.553 0.00 0.00 +0.007 A ATOM 16 C LIG 1 0.520 -0.094 -4.772 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.306 0.908 -5.272 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 0.071 1.661 -6.771 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -1.443 1.294 -4.569 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -1.748 0.682 -3.350 0.00 0.00 +0.007 A ENDBRANCH 6 14 BRANCH 1 23 ATOM 21 C LIG 1 1.433 7.450 -1.506 0.00 0.00 +0.106 C ATOM 22 C LIG 1 1.332 6.011 -1.268 0.00 0.00 -0.100 C ATOM 23 C LIG 1 1.248 4.829 -1.071 0.00 0.00 -0.067 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 C LIG 1 -3.278 -0.816 0.007 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -4.505 0.108 0.021 0.00 0.00 +0.033 C BRANCH 24 26 ATOM 26 C LIG 1 -3.009 -1.518 1.333 0.00 0.00 -0.027 A ATOM 27 C LIG 1 -2.718 -2.894 1.345 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.424 -3.557 2.540 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -2.417 -2.850 3.739 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 -2.037 -3.660 5.208 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -2.704 -1.489 3.752 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -2.996 -0.828 2.555 0.00 0.00 +0.007 A ENDBRANCH 24 26 ENDBRANCH 5 24 BRANCH 8 33 ATOM 33 C LIG 1 1.929 -1.418 0.651 0.00 0.00 +0.114 C BRANCH 33 34 ATOM 34 C LIG 1 1.429 -1.602 2.090 0.00 0.00 +0.020 C BRANCH 34 35 ATOM 35 C LIG 1 2.347 -2.452 2.975 0.00 0.00 +0.013 C BRANCH 35 36 ATOM 36 C LIG 1 3.716 -1.834 3.242 0.00 0.00 +0.120 C BRANCH 36 37 ATOM 37 C LIG 1 4.753 -2.299 2.258 0.00 0.00 +0.305 C ATOM 38 O LIG 1 5.133 -1.692 1.271 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 5.241 -3.518 2.551 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 5.891 -3.703 1.841 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10