REMARK Name = BDB027195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.790 -0.037 0.668 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.843 -1.238 0.052 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.670 -1.878 -0.162 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.594 -1.397 0.199 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.626 -0.153 0.846 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.583 0.528 1.072 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.553 1.970 1.209 0.00 0.00 +0.123 A ATOM 8 C LIG 1 5.367 0.682 1.703 0.00 0.00 +0.084 A ATOM 9 C LIG 1 4.139 0.038 1.523 0.00 0.00 +0.136 A ATOM 10 F LIG 1 3.998 -1.190 2.047 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.071 0.650 0.853 0.00 0.00 +0.036 A ATOM 12 C LIG 1 3.275 1.950 0.363 0.00 0.00 +0.016 A ATOM 13 C LIG 1 4.502 2.600 0.541 0.00 0.00 +0.046 A BRANCH 7 15 ATOM 14 C LIG 1 7.808 2.100 1.950 0.00 0.00 +0.277 C ATOM 15 O LIG 1 6.694 2.715 1.314 0.00 0.00 -0.495 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.788 -2.109 -0.034 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -1.987 -2.542 -1.441 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -1.967 -4.079 -1.585 0.00 0.00 +0.102 C ATOM 19 C LIG 1 -3.082 -4.669 -0.697 0.00 0.00 +0.186 C ATOM 20 F LIG 1 -4.280 -4.547 -1.352 0.00 0.00 -0.244 F ATOM 21 C LIG 1 -3.232 -3.967 0.650 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -1.998 -3.148 0.996 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 N LIG 1 -2.101 -4.538 -2.978 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -1.552 -3.950 -3.604 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.078 -4.432 -3.265 0.00 0.00 +0.119 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 5 26 ATOM 26 C LIG 1 -1.921 0.504 1.258 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -2.450 1.337 0.197 0.00 0.00 -0.310 N ATOM 28 C LIG 1 -2.143 2.650 -0.031 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -2.926 3.011 -1.116 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -2.800 4.335 -1.571 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -1.925 5.153 -0.944 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -1.234 4.666 0.109 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -3.695 1.947 -1.546 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 -1.275 3.426 0.640 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 -3.393 0.964 -0.724 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 -3.518 4.841 -2.647 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -3.879 4.121 -3.263 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -3.062 5.639 -3.068 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7