REMARK Name = BDB021153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.071 -0.521 -0.091 0.00 0.00 -0.219 N ATOM 2 C LIG 1 0.662 0.707 -0.234 0.00 0.00 +0.258 C ATOM 3 O LIG 1 0.177 1.789 -0.511 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 2.079 0.555 0.046 0.00 0.00 +0.091 A ATOM 5 C LIG 1 2.289 -0.753 0.416 0.00 0.00 +0.053 A ATOM 6 C LIG 1 3.543 -1.220 0.762 0.00 0.00 +0.014 A ATOM 7 C LIG 1 4.602 -0.306 0.717 0.00 0.00 +0.004 A ATOM 8 C LIG 1 4.384 1.035 0.339 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.105 1.473 0.003 0.00 0.00 +0.130 A ATOM 10 C LIG 1 0.996 -1.430 0.368 0.00 0.00 +0.255 C ATOM 11 O LIG 1 0.864 -2.595 0.692 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -1.795 -2.220 -0.183 0.00 0.00 +0.042 C ATOM 13 C LIG 1 -1.398 -0.726 -0.117 0.00 0.00 +0.119 C ATOM 14 C LIG 1 -1.942 -0.194 1.227 0.00 0.00 +0.243 C ATOM 15 O LIG 1 -1.293 -0.161 2.270 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -3.255 0.192 1.205 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -3.651 0.392 2.116 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -3.692 1.093 0.276 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -4.662 1.810 0.503 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -2.842 1.253 -0.960 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -2.083 -0.019 -1.320 0.00 0.00 +0.045 C ENDBRANCH 1 13 BRANCH 9 22 ATOM 22 O LIG 1 2.921 2.774 -0.349 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.964 2.924 -0.503 0.00 0.00 +0.292 HD ENDBRANCH 9 22 TORSDOF 2