REMARK Name = BDB009639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.002 0.795 0.058 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.148 -0.036 0.534 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.553 0.438 0.051 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.648 1.962 0.080 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.536 2.613 -0.750 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.666 4.145 -0.600 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.182 2.169 -0.188 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.728 2.990 -0.056 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.004 -1.528 0.228 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.983 -2.006 -1.095 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.889 -3.375 -1.360 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.828 -4.280 -0.305 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.712 -5.965 -0.629 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.864 -3.830 1.012 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.956 -2.462 1.277 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.699 -0.184 0.848 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.870 0.063 2.220 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.918 -0.539 2.920 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.104 -0.230 4.603 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.809 -1.389 2.271 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.651 -1.640 0.909 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.605 -1.042 0.204 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.405 0.415 0.444 0.00 0.00 +0.094 C BRANCH 23 25 ATOM 24 C LIG 1 1.322 1.463 2.788 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.595 0.210 1.965 0.00 0.00 +0.021 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 1.963 -0.784 -0.370 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 N LIG 1 3.344 -0.622 -0.811 0.00 0.00 -0.262 N ATOM 28 C LIG 1 3.685 0.029 -1.975 0.00 0.00 +0.404 C ATOM 29 O LIG 1 2.920 0.408 -2.846 0.00 0.00 -0.226 OA ATOM 30 O LIG 1 5.041 0.208 -2.019 0.00 0.00 -0.443 OA ATOM 31 C LIG 1 5.634 -0.490 -0.906 0.00 0.00 +0.125 C ATOM 32 C LIG 1 6.188 -1.824 -1.410 0.00 0.00 +0.057 C ATOM 33 C LIG 1 6.745 0.374 -0.321 0.00 0.00 +0.057 C ATOM 34 C LIG 1 4.475 -0.676 0.064 0.00 0.00 +0.158 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 C LIG 1 -1.533 2.236 -2.247 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -2.836 2.507 -2.945 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -3.234 3.585 -3.349 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.597 1.404 -3.075 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -4.395 1.728 -3.547 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9