REMARK Name = BDB035873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.679 2.149 -2.431 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -1.387 1.990 -1.655 0.00 0.00 +0.183 A ATOM 3 N LIG 1 -1.189 0.786 -0.985 0.00 0.00 -0.264 N ATOM 4 C LIG 1 -0.014 0.561 -0.269 0.00 0.00 +0.266 A ATOM 5 C LIG 1 0.963 1.688 -0.239 0.00 0.00 +0.065 A ATOM 6 C LIG 1 0.631 2.781 -0.938 0.00 0.00 +0.127 A ATOM 7 O LIG 1 0.240 -0.495 0.314 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 -2.149 -0.218 -1.016 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -3.317 -0.084 -1.663 0.00 0.00 -0.013 A ATOM 10 N LIG 1 -0.519 2.958 -1.647 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -3.560 1.133 -2.408 0.00 0.00 +0.055 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 2.247 1.612 0.486 0.00 0.00 -0.011 A ATOM 13 C LIG 1 3.108 0.516 0.300 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.349 0.395 0.964 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.689 1.449 1.837 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.850 2.545 2.042 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.632 2.624 1.371 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 5.335 -0.853 0.756 0.00 0.00 +0.056 C ATOM 19 C LIG 1 4.762 -2.199 0.184 0.00 0.00 +0.022 C ATOM 20 C LIG 1 5.655 -2.964 1.188 0.00 0.00 -0.012 C ATOM 21 C LIG 1 5.055 -4.205 1.819 0.00 0.00 +0.007 C ATOM 22 C LIG 1 5.657 -1.684 2.054 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 6.643 -0.381 -0.018 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.720 0.174 -1.266 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.649 0.471 -2.176 0.00 0.00 +0.151 C ATOM 26 C LIG 1 8.041 0.418 -1.488 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.739 0.039 -0.445 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.858 -0.460 0.485 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 5 12 BRANCH 1 30 ATOM 29 C LIG 1 -4.032 3.553 -3.839 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -2.833 3.343 -3.108 0.00 0.00 -0.491 OA ENDBRANCH 1 30 BRANCH 9 31 ATOM 31 C LIG 1 -4.346 -1.194 -1.710 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 N LIG 1 -5.468 -1.120 -0.766 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -5.046 -1.194 0.638 0.00 0.00 +0.088 C ATOM 34 C LIG 1 -6.260 -1.362 1.569 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -5.819 -1.405 3.031 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.275 -0.236 1.342 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -7.634 -0.131 -0.137 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -6.381 -0.002 -1.005 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 6