REMARK Name = BDB035488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.959 1.539 -0.237 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.288 0.401 0.222 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.672 -0.744 0.380 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.081 0.815 0.550 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.128 0.041 1.017 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.355 0.674 1.258 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.484 2.064 1.010 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.406 2.837 0.537 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.201 2.179 0.312 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.103 2.717 -0.181 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.418 0.451 -1.301 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.067 0.438 -0.885 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.304 1.601 -0.693 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.914 2.830 -0.965 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.244 2.890 -1.379 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.982 1.718 -1.535 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.273 -0.890 -1.488 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -4.535 -2.219 -1.874 0.00 0.00 +0.038 C ATOM 19 C LIG 1 -5.727 -2.559 -2.795 0.00 0.00 +0.083 C ATOM 20 CL LIG 1 -5.401 -3.454 -4.308 0.00 0.00 -0.122 Cl ATOM 21 C LIG 1 -6.002 -1.045 -2.877 0.00 0.00 +0.038 C BRANCH 17 24 ATOM 22 C LIG 1 -4.617 -1.257 1.670 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.922 -1.240 1.069 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.250 -1.085 -0.251 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.562 -1.133 -0.370 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -8.097 -1.320 0.881 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.102 -1.379 1.734 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.548 4.311 0.269 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.602 5.043 0.922 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.748 4.830 0.640 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.396 4.609 -1.051 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.547 -0.120 1.747 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.521 -0.282 0.668 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.029 -0.606 -0.165 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.668 -1.129 1.059 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.287 -2.632 0.963 0.00 0.00 +0.022 C ATOM 37 C LIG 1 6.736 -2.627 -0.511 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.532 -1.341 -0.219 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.442 -0.647 2.270 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7