REMARK Name = BDB050278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.949 1.448 -1.019 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -1.665 0.943 -0.753 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.640 1.080 -1.697 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -0.903 1.716 -2.915 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.173 2.228 -3.180 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.190 2.099 -2.235 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.721 0.558 -1.440 0.00 0.00 +0.091 C ATOM 8 C LIG 1 1.149 0.086 -0.093 0.00 0.00 +0.106 C ATOM 9 C LIG 1 2.644 0.074 -0.327 0.00 0.00 +0.211 C ATOM 10 O LIG 1 2.782 -0.089 -1.746 0.00 0.00 -0.390 OA ATOM 11 N LIG 1 1.626 0.451 -2.361 0.00 0.00 -0.089 NA BRANCH 9 12 ATOM 12 C LIG 1 3.333 1.371 0.121 0.00 0.00 +0.052 C BRANCH 12 13 ATOM 13 C LIG 1 4.832 1.407 -0.202 0.00 0.00 +0.039 C BRANCH 13 14 ATOM 14 C LIG 1 5.633 0.392 0.574 0.00 0.00 -0.047 A ATOM 15 C LIG 1 5.920 0.597 1.930 0.00 0.00 +0.003 A ATOM 16 C LIG 1 6.650 -0.352 2.649 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.098 -1.512 2.021 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.818 -1.725 0.672 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.089 -0.778 -0.049 0.00 0.00 +0.003 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 -4.061 1.268 -0.011 0.00 0.00 +0.078 C BRANCH 20 21 ATOM 21 C LIG 1 -4.659 -0.151 -0.009 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 C LIG 1 -5.703 -0.260 -1.138 0.00 0.00 +0.334 C ATOM 23 O LIG 1 -6.914 -0.197 -0.979 0.00 0.00 -0.248 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.164 -0.460 -2.366 0.00 0.00 -0.479 OA ATOM 25 H LIG 1 -4.187 -0.476 -2.394 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 BRANCH 21 26 ATOM 26 O LIG 1 -5.182 -0.362 1.306 0.00 0.00 -0.365 OA BRANCH 26 28 ATOM 27 C LIG 1 -6.089 -1.808 2.971 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -5.600 -1.706 1.540 0.00 0.00 +0.157 C ENDBRANCH 26 28 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10