REMARK Name = BDB009766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.126 2.695 0.811 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -0.215 2.034 -0.584 0.00 0.00 +0.055 C ATOM 3 C LIG 1 0.866 0.950 -0.611 0.00 0.00 +0.223 C ATOM 4 O LIG 1 2.029 1.268 -0.863 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.540 -0.327 -0.184 0.00 0.00 -0.285 N ATOM 6 C LIG 1 -0.844 -0.849 -0.153 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.967 0.217 -0.019 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -1.623 1.470 -0.840 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -1.127 -1.801 -1.321 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.808 -3.008 -1.073 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.095 -3.896 -2.113 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.708 -3.587 -3.413 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.059 -4.681 -4.693 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.040 -2.397 -3.681 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.754 -1.509 -2.640 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.448 0.535 1.399 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.697 1.169 1.556 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.195 1.473 2.824 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.723 2.250 2.977 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -3.467 1.151 3.963 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.232 0.521 3.830 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.729 0.214 2.562 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.620 -1.278 0.181 0.00 0.00 +0.134 C BRANCH 23 24 ATOM 24 C LIG 1 2.384 -0.858 1.439 0.00 0.00 +0.062 A ATOM 25 N LIG 1 1.892 -1.355 2.611 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 2.517 -1.018 3.761 0.00 0.00 +0.111 A ATOM 27 C LIG 1 3.621 -0.191 3.820 0.00 0.00 +0.020 A ATOM 28 C LIG 1 4.110 0.322 2.628 0.00 0.00 +0.003 A ATOM 29 C LIG 1 3.488 -0.011 1.426 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 2.416 -1.980 -0.933 0.00 0.00 +0.142 C BRANCH 30 31 ATOM 31 C LIG 1 3.128 -1.183 -1.992 0.00 0.00 +0.392 C ATOM 32 F LIG 1 3.754 -2.055 -2.831 0.00 0.00 -0.171 F ATOM 33 F LIG 1 4.091 -0.383 -1.503 0.00 0.00 -0.171 F ATOM 34 F LIG 1 2.290 -0.465 -2.762 0.00 0.00 -0.171 F ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 5 23 BRANCH 2 35 ATOM 35 C LIG 1 0.117 3.151 -1.614 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 0.428 2.666 -3.007 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -0.048 1.698 -3.573 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 1.285 3.482 -3.651 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 1.434 3.042 -4.514 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9