REMARK Name = BDB057486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.181 2.859 0.808 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.292 1.383 0.767 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -1.888 1.042 -0.110 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -1.507 -0.739 1.740 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.995 0.583 1.875 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.258 1.027 3.182 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.974 0.238 4.303 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.431 -1.031 4.147 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.198 -1.521 2.867 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -0.116 -1.870 0.240 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -1.226 -1.375 0.429 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -2.264 -1.467 -0.632 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -3.633 -1.417 -0.340 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.570 -1.509 -1.372 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.146 -1.658 -2.692 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.785 -1.722 -2.986 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.845 -1.631 -1.959 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.717 3.454 -0.511 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -2.767 2.857 -1.578 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -3.122 4.746 -0.405 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -3.080 5.126 0.492 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.738 3.359 1.044 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.333 2.674 0.223 0.00 0.00 -0.045 A ATOM 24 C LIG 1 0.521 2.981 -1.131 0.00 0.00 +0.007 A ATOM 25 C LIG 1 1.460 2.279 -1.891 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.205 1.259 -1.308 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.070 0.983 0.049 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.136 1.685 0.810 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 3.089 0.585 -2.106 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 2.820 -0.825 -2.151 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 3.842 -1.609 -1.361 0.00 0.00 -0.010 A ATOM 32 C LIG 1 5.215 -1.379 -1.537 0.00 0.00 +0.008 A ATOM 33 C LIG 1 6.156 -2.117 -0.816 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.729 -3.094 0.081 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 6.888 -4.003 0.970 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 4.370 -3.339 0.264 0.00 0.00 +0.020 A ATOM 37 C LIG 1 3.429 -2.600 -0.457 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11