REMARK Name = BDB053698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 -0.065 0.235 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -1.585 -1.060 0.143 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.173 -2.174 0.884 0.00 0.00 +0.060 A ATOM 4 C LIG 1 0.146 -1.820 1.414 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.827 -2.673 2.185 0.00 0.00 +0.096 A ATOM 6 N LIG 1 0.276 -3.899 2.472 0.00 0.00 -0.328 N ATOM 7 H LIG 1 0.777 -4.556 3.060 0.00 0.00 +0.168 HD ATOM 8 C LIG 1 -0.954 -4.320 2.017 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -1.415 -5.423 2.289 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -1.713 -3.366 1.163 0.00 0.00 +0.096 A ATOM 11 C LIG 1 0.483 -0.490 0.958 0.00 0.00 +0.107 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 1.737 0.224 1.233 0.00 0.00 +0.252 C ATOM 13 N LIG 1 2.689 0.241 0.228 0.00 0.00 -0.295 N ATOM 14 C LIG 1 3.982 0.879 0.486 0.00 0.00 +0.126 C ATOM 15 C LIG 1 5.151 0.082 -0.141 0.00 0.00 +0.068 C ATOM 16 C LIG 1 6.484 0.775 0.139 0.00 0.00 +0.025 C ATOM 17 N LIG 1 5.014 -0.172 -1.591 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 5.625 0.442 -2.129 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 3.633 -0.021 -2.071 0.00 0.00 +0.100 C ATOM 20 C LIG 1 2.562 -0.458 -1.057 0.00 0.00 +0.123 C ATOM 21 O LIG 1 1.910 0.729 2.341 0.00 0.00 -0.270 OA ENDBRANCH 11 12 BRANCH 2 22 ATOM 22 C LIG 1 -2.848 -0.863 -0.575 0.00 0.00 +0.091 C ATOM 23 C LIG 1 -3.010 -1.872 -1.720 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -4.329 -1.662 -2.461 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -5.521 -1.687 -1.506 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -5.360 -0.674 -0.376 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -4.048 -0.876 0.381 0.00 0.00 +0.025 C ENDBRANCH 2 22 BRANCH 1 28 ATOM 28 O LIG 1 -0.696 1.137 -0.424 0.00 0.00 -0.439 OA BRANCH 28 31 ATOM 29 C LIG 1 0.700 3.295 -1.578 0.00 0.00 +0.047 C ATOM 30 C LIG 1 0.027 3.398 -0.239 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -0.639 2.295 0.323 0.00 0.00 +0.136 A ATOM 32 C LIG 1 -1.270 2.405 1.565 0.00 0.00 +0.085 A ATOM 33 C LIG 1 -1.200 3.606 2.259 0.00 0.00 +0.127 A ATOM 34 F LIG 1 -1.805 3.716 3.450 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -0.523 4.700 1.735 0.00 0.00 +0.039 A ATOM 36 C LIG 1 0.091 4.598 0.487 0.00 0.00 +0.010 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 4