REMARK Name = BDB055497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.879 -0.376 -0.480 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.268 -0.493 0.768 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.915 0.107 -0.440 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.576 0.138 -0.847 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.427 -0.431 -0.052 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -0.069 -1.030 1.160 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.268 -1.060 1.562 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.529 -0.601 1.284 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.620 -0.025 0.560 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 5.165 -1.005 -0.488 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.914 -0.340 -2.770 0.00 0.00 +0.134 C ATOM 12 N LIG 1 6.170 -0.368 -1.340 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.467 -0.356 -0.949 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.731 -0.606 0.374 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 9.086 -0.516 0.470 0.00 0.00 +0.157 A ATOM 16 C LIG 1 9.577 -0.216 -0.788 0.00 0.00 +0.111 A ATOM 17 C LIG 1 10.959 -0.068 -0.960 0.00 0.00 +0.031 A ATOM 18 C LIG 1 11.785 -0.233 0.163 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.247 -0.537 1.421 0.00 0.00 +0.004 A ATOM 20 C LIG 1 9.867 -0.687 1.606 0.00 0.00 +0.048 A ATOM 21 N LIG 1 8.539 -0.116 -1.678 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.621 0.838 0.106 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.383 2.134 -0.675 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -1.855 2.256 -1.770 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -2.845 3.225 -0.022 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -2.686 3.967 -0.640 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -4.062 0.552 0.317 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -4.407 1.088 1.129 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.045 0.582 -0.680 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -6.414 0.621 -0.315 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -7.436 0.609 -1.280 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.116 0.500 -2.628 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.782 0.405 -3.007 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.764 0.435 -2.045 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -6.797 0.731 1.118 0.00 0.00 +0.195 C ATOM 36 O LIG 1 -6.217 1.547 1.832 0.00 0.00 -0.287 OA BRANCH 35 37 ATOM 37 C LIG 1 -7.860 -0.132 1.698 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -8.116 -1.418 1.205 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -9.119 -2.198 1.784 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.859 -1.704 2.858 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -9.594 -0.431 3.363 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -8.592 0.353 2.788 0.00 0.00 +0.012 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13