REMARK Name = BDB037820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.196 2.343 -0.259 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.694 1.380 0.240 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.549 0.020 0.074 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -1.467 -0.572 0.974 0.00 0.00 +0.078 A ATOM 5 N LIG 1 -2.110 0.365 1.681 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.478 -0.588 -0.799 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.658 0.366 -1.027 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.857 1.520 1.002 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.353 1.883 -0.915 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.237 2.672 -1.283 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.212 -0.998 -2.096 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.990 -0.118 -2.872 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.582 -0.550 -4.061 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.388 -1.856 -4.492 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.953 -2.266 -5.635 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.607 -2.739 -3.760 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.017 -2.311 -2.570 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.814 2.567 1.062 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.612 2.709 2.206 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.572 3.720 2.266 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.757 4.574 1.179 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.996 4.407 0.023 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.033 3.398 -0.042 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.785 0.134 -0.104 0.00 0.00 -0.297 N ATOM 25 H LIG 1 3.284 0.954 0.242 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.529 -1.036 -0.135 0.00 0.00 +0.282 C ATOM 27 O LIG 1 3.159 -2.039 -0.737 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 4.836 -0.972 0.626 0.00 0.00 +0.216 A ATOM 29 N LIG 1 5.139 0.217 1.198 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 6.315 0.277 1.878 0.00 0.00 +0.147 A ATOM 31 C LIG 1 7.160 -0.819 1.972 0.00 0.00 +0.052 A ATOM 32 C LIG 1 6.747 -1.976 1.351 0.00 0.00 +0.115 A ATOM 33 N LIG 1 5.592 -2.083 0.676 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 6.732 1.582 2.541 0.00 0.00 +0.434 C ATOM 35 F LIG 1 5.755 2.529 2.564 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.803 2.157 1.924 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.109 1.404 3.841 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.029 4.722 -1.041 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.197 3.759 0.130 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.691 -2.021 1.258 0.00 0.00 +0.153 C BRANCH 40 41 ATOM 41 C LIG 1 -2.577 -2.693 0.212 0.00 0.00 +0.222 C ATOM 42 N LIG 1 -2.647 -4.091 0.242 0.00 0.00 -0.291 N ATOM 43 C LIG 1 -3.523 -4.737 -0.727 0.00 0.00 +0.133 C ATOM 44 O LIG 1 -3.196 -2.048 -0.636 0.00 0.00 -0.275 OA BRANCH 42 45 ATOM 45 C LIG 1 -2.241 -4.903 1.395 0.00 0.00 +0.226 C BRANCH 45 46 ATOM 46 C LIG 1 -3.305 -5.042 2.407 0.00 0.00 +0.082 C ATOM 47 N LIG 1 -4.132 -5.162 3.212 0.00 0.00 -0.195 NA ENDBRANCH 45 46 ENDBRANCH 42 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10