REMARK Name = BDB000378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.417 -0.145 -0.906 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.111 -0.949 0.227 0.00 0.00 +0.080 C BRANCH 2 3 ATOM 3 N LIG 1 1.348 -2.164 0.574 0.00 0.00 -0.325 NA ATOM 4 H LIG 1 1.927 -2.773 1.153 0.00 0.00 +0.119 HD ATOM 5 H LIG 1 1.159 -2.692 -0.279 0.00 0.00 +0.119 HD ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 2.387 -0.112 1.502 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 O LIG 1 1.158 -0.015 2.254 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 0.687 -0.851 2.050 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 3.418 -0.681 2.495 0.00 0.00 +0.045 C BRANCH 9 10 ATOM 10 C LIG 1 4.830 -1.095 2.038 0.00 0.00 +0.074 C ATOM 11 C LIG 1 4.894 -2.545 1.549 0.00 0.00 +0.017 C BRANCH 10 12 ATOM 12 C LIG 1 5.495 -0.159 1.029 0.00 0.00 +0.216 C ATOM 13 N LIG 1 6.857 -0.359 0.907 0.00 0.00 -0.315 N ATOM 14 H LIG 1 7.319 -0.841 1.669 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.883 0.663 0.357 0.00 0.00 -0.276 OA BRANCH 13 16 ATOM 16 C LIG 1 7.668 0.524 0.082 0.00 0.00 +0.115 C BRANCH 16 17 ATOM 17 C LIG 1 8.964 -0.148 -0.339 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 9.799 0.779 -1.172 0.00 0.00 +0.306 C ATOM 19 O LIG 1 9.616 1.968 -1.368 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 10.865 0.152 -1.706 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 11.328 0.852 -2.215 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 0.134 0.688 -0.604 0.00 0.00 -0.003 C BRANCH 22 23 ATOM 23 C LIG 1 -0.074 1.723 -1.766 0.00 0.00 -0.014 C ATOM 24 C LIG 1 -0.560 1.107 -3.081 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -0.974 2.902 -1.382 0.00 0.00 +0.007 C ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -1.082 -0.235 -0.339 0.00 0.00 +0.039 C BRANCH 26 31 ATOM 27 C LIG 1 -4.700 0.937 0.057 0.00 0.00 +0.162 A ATOM 28 C LIG 1 -4.640 1.613 1.292 0.00 0.00 +0.162 A ATOM 29 C LIG 1 -3.424 1.687 1.979 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -2.275 1.097 1.448 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.319 0.428 0.221 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.544 0.340 -0.460 0.00 0.00 +0.053 A BRANCH 28 33 ATOM 33 O LIG 1 -5.818 2.161 1.739 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -5.783 2.879 2.963 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 27 35 ATOM 35 O LIG 1 -5.932 0.901 -0.544 0.00 0.00 -0.488 OA BRANCH 35 36 ATOM 36 C LIG 1 -6.043 0.448 -1.890 0.00 0.00 +0.231 C BRANCH 36 37 ATOM 37 C LIG 1 -6.324 -1.049 -1.960 0.00 0.00 +0.069 C BRANCH 37 38 ATOM 38 C LIG 1 -7.549 -1.444 -1.144 0.00 0.00 +0.163 C BRANCH 38 40 ATOM 39 C LIG 1 -8.912 -3.287 -0.603 0.00 0.00 +0.193 C ATOM 40 O LIG 1 -7.801 -2.833 -1.365 0.00 0.00 -0.383 OA ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 26 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 21