REMARK Name = BDB035418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.477 -0.192 -0.995 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.420 0.102 0.021 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.260 0.194 1.223 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.727 0.304 -0.621 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.938 0.621 -0.035 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.054 0.769 -0.871 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.913 0.574 -2.267 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.671 0.248 -2.848 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.581 0.119 -1.992 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.157 -0.221 -2.302 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.813 -1.080 -1.967 0.00 0.00 +0.043 A ATOM 12 N LIG 1 -2.498 -0.781 -2.025 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -1.851 -0.468 -0.881 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -2.522 -0.423 0.338 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.900 -0.712 0.430 0.00 0.00 -0.029 A ATOM 16 C LIG 1 -4.531 -1.052 -0.776 0.00 0.00 +0.028 A BRANCH 15 17 ATOM 17 C LIG 1 -4.671 -0.642 1.837 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -4.099 -1.569 2.965 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -5.540 -1.890 3.397 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.033 -1.172 4.428 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.785 -3.189 3.682 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.006 -1.436 2.000 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 -4.818 0.871 2.301 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.426 1.904 1.639 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.082 1.885 0.362 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.284 2.997 2.438 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -4.635 2.663 3.527 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.339 1.325 3.440 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 15 17 BRANCH 11 30 ATOM 29 C LIG 1 -5.130 -0.184 -3.896 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -4.495 -1.414 -3.267 0.00 0.00 +0.052 C ENDBRANCH 11 30 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.521 0.042 -4.331 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.625 0.906 -4.884 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.679 0.206 -5.026 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.072 -1.206 -4.637 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.405 1.094 -0.272 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.011 -0.115 0.281 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.168 -0.781 -0.474 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.210 0.165 1.093 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.785 0.643 2.510 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.709 -0.832 2.952 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.622 -1.182 1.760 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.324 0.892 0.371 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8