REMARK Name = BDB018119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.875 0.327 0.292 0.00 0.00 +0.063 C ATOM 2 C LIG 1 2.792 -1.199 0.110 0.00 0.00 +0.030 C ATOM 3 C LIG 1 1.471 -1.743 0.654 0.00 0.00 +0.108 C ATOM 4 N LIG 1 0.349 -1.053 0.027 0.00 0.00 -0.301 N ATOM 5 C LIG 1 -0.326 -1.703 -1.000 0.00 0.00 +0.216 C ATOM 6 O LIG 1 -0.060 -2.860 -1.332 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 0.342 0.390 0.252 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.622 1.005 -0.306 0.00 0.00 +0.030 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 4.142 0.883 -0.359 0.00 0.00 +0.166 C ATOM 10 O LIG 1 4.095 1.589 -1.365 0.00 0.00 -0.292 OA BRANCH 9 13 ATOM 11 C LIG 1 7.901 0.508 -0.075 0.00 0.00 +0.060 A ATOM 12 C LIG 1 6.618 0.777 -0.572 0.00 0.00 +0.026 A ATOM 13 C LIG 1 5.483 0.572 0.228 0.00 0.00 +0.018 A ATOM 14 C LIG 1 5.644 0.106 1.538 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.921 -0.163 2.037 0.00 0.00 +0.001 A ATOM 16 C LIG 1 8.046 0.035 1.235 0.00 0.00 +0.015 A BRANCH 11 17 ATOM 17 C LIG 1 9.067 0.738 -0.973 0.00 0.00 +0.339 C ATOM 18 O LIG 1 8.965 1.121 -2.127 0.00 0.00 -0.245 OA BRANCH 17 20 ATOM 19 C LIG 1 11.395 0.663 -1.129 0.00 0.00 +0.280 C ATOM 20 O LIG 1 10.229 0.464 -0.328 0.00 0.00 -0.464 OA ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 21 ATOM 21 C LIG 1 -1.453 -0.967 -1.707 0.00 0.00 +0.099 C BRANCH 21 22 ATOM 22 C LIG 1 -2.712 -0.822 -0.833 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -3.375 -2.188 -0.612 0.00 0.00 +0.008 C BRANCH 22 24 ATOM 24 C LIG 1 -3.691 0.159 -1.504 0.00 0.00 +0.078 C BRANCH 24 25 ATOM 25 C LIG 1 -4.837 0.540 -0.594 0.00 0.00 +0.111 A ATOM 26 N LIG 1 -4.527 1.374 0.444 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -3.589 1.723 0.574 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -5.449 1.800 1.364 0.00 0.00 +0.259 A ATOM 29 O LIG 1 -5.143 2.548 2.285 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -6.821 1.301 1.170 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -7.054 0.450 0.082 0.00 0.00 +0.081 A ATOM 32 C LIG 1 -8.356 -0.041 -0.122 0.00 0.00 -0.024 A ATOM 33 C LIG 1 -9.385 0.330 0.762 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -9.130 1.180 1.840 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.653 -0.958 -1.275 0.00 0.00 +0.046 C ATOM 36 C LIG 1 -7.844 1.669 2.049 0.00 0.00 +0.015 A ATOM 37 N LIG 1 -6.024 0.077 -0.804 0.00 0.00 -0.233 NA ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8