REMARK Name = BDB061826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.440 0.631 0.722 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.679 -0.456 1.577 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -1.624 -1.368 1.165 0.00 0.00 +0.068 A ATOM 4 N LIG 1 -2.058 -2.524 1.805 0.00 0.00 -0.306 N ATOM 5 H LIG 1 -1.757 -2.884 2.696 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 -3.048 -3.136 1.020 0.00 0.00 +0.328 A ATOM 7 N LIG 1 -3.202 -2.334 -0.126 0.00 0.00 -0.288 N ATOM 8 O LIG 1 -3.645 -4.161 1.303 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 -2.332 -1.240 -0.032 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -2.123 -0.175 -0.879 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -1.167 0.771 -0.488 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 1.625 1.286 1.837 0.00 0.00 -0.307 N ATOM 13 H LIG 1 1.784 0.299 1.997 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 0.562 1.681 1.055 0.00 0.00 +0.244 C ATOM 15 O LIG 1 0.431 2.816 0.611 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 2.733 2.176 2.097 0.00 0.00 +0.140 C BRANCH 16 20 ATOM 17 C LIG 1 5.792 1.737 -0.945 0.00 0.00 +0.121 A ATOM 18 C LIG 1 5.723 0.812 0.097 0.00 0.00 +0.058 A ATOM 19 C LIG 1 4.739 0.923 1.104 0.00 0.00 +0.063 A ATOM 20 C LIG 1 3.823 1.998 1.062 0.00 0.00 -0.018 A ATOM 21 C LIG 1 3.894 2.910 -0.002 0.00 0.00 +0.009 A ATOM 22 C LIG 1 4.871 2.780 -0.989 0.00 0.00 +0.046 A BRANCH 19 23 ATOM 23 C LIG 1 4.688 -0.112 2.204 0.00 0.00 +0.418 C ATOM 24 F LIG 1 5.562 -1.142 2.033 0.00 0.00 -0.166 F ATOM 25 F LIG 1 3.458 -0.694 2.320 0.00 0.00 -0.166 F ATOM 26 F LIG 1 4.967 0.412 3.429 0.00 0.00 -0.166 F ENDBRANCH 19 23 BRANCH 17 28 ATOM 27 C LIG 1 7.688 0.711 -1.953 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.694 1.728 -1.972 0.00 0.00 -0.495 OA ENDBRANCH 17 28 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 7 29 ATOM 29 C LIG 1 -4.157 -2.579 -1.175 0.00 0.00 +0.162 C BRANCH 29 30 ATOM 30 C LIG 1 -5.416 -1.758 -1.024 0.00 0.00 -0.025 A ATOM 31 C LIG 1 -6.293 -1.996 0.045 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -7.447 -1.231 0.182 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.277 -1.467 1.207 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.755 -0.228 -0.728 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -6.896 0.014 -1.798 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.733 -0.748 -1.946 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7