REMARK Name = BDB021639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.263 -3.058 -0.894 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.774 -2.785 0.524 0.00 0.00 +0.188 C ATOM 3 O LIG 1 0.610 -2.467 0.493 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 1.085 -1.188 0.507 0.00 0.00 +0.137 A ATOM 5 C LIG 1 0.428 0.036 0.371 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.198 1.224 0.439 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.585 1.203 0.618 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.239 -0.012 0.719 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -1.022 0.258 0.109 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.352 1.261 -0.526 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.981 -0.625 0.585 0.00 0.00 -0.291 N ATOM 12 C LIG 1 2.483 -1.187 0.670 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -1.637 -1.821 1.335 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 4.578 -0.215 0.856 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.488 0.894 0.851 0.00 0.00 +0.176 C ATOM 16 C LIG 1 6.796 0.398 1.504 0.00 0.00 +0.063 C ATOM 17 C LIG 1 7.763 -0.291 0.523 0.00 0.00 +0.061 C ATOM 18 N LIG 1 8.073 0.556 -0.628 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 6.795 0.631 -1.349 0.00 0.00 +0.061 C ATOM 20 C LIG 1 6.448 -0.856 -1.435 0.00 0.00 +0.020 C ATOM 21 C LIG 1 7.122 -1.476 -0.203 0.00 0.00 +0.020 C ATOM 22 C LIG 1 5.731 1.422 -0.573 0.00 0.00 +0.063 C BRANCH 18 23 ATOM 23 C LIG 1 8.747 1.825 -0.384 0.00 0.00 +0.112 C BRANCH 23 24 ATOM 24 C LIG 1 10.168 1.650 0.180 0.00 0.00 +0.171 C BRANCH 24 25 ATOM 25 O LIG 1 10.820 2.910 0.298 0.00 0.00 -0.394 OA ATOM 26 H LIG 1 10.335 3.427 0.962 0.00 0.00 +0.209 HD ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 27 ATOM 27 C LIG 1 -3.411 -0.306 0.380 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 -3.819 -0.357 -1.111 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 O LIG 1 -3.765 0.940 -1.689 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -2.895 1.305 -1.445 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -5.183 -1.037 -1.382 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -6.443 -0.326 -1.141 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -6.573 0.368 0.139 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.956 0.955 0.352 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -9.070 0.164 0.020 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -10.367 0.629 0.265 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -10.555 1.896 0.818 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.454 2.693 1.136 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.795 -1.195 -0.564 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -8.156 2.223 0.912 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -7.613 -1.140 -1.545 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 11 27 TORSDOF 10