REMARK Name = BDB052675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.423 -0.364 0.439 0.00 0.00 +0.191 C ATOM 2 C LIG 1 0.663 -0.561 -0.918 0.00 0.00 +0.174 C ATOM 3 N LIG 1 -0.679 -1.139 -0.726 0.00 0.00 -0.307 N ATOM 4 C LIG 1 -1.804 -0.375 -0.533 0.00 0.00 +0.077 A ATOM 5 C LIG 1 -2.907 -1.184 -0.364 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.135 -0.538 -0.145 0.00 0.00 +0.021 A ATOM 7 C LIG 1 -5.491 -1.133 0.101 0.00 0.00 +0.235 C ATOM 8 N LIG 1 -6.333 0.006 0.217 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -7.318 -0.037 0.429 0.00 0.00 +0.152 HD ATOM 10 C LIG 1 -5.649 1.199 0.188 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -6.153 2.292 0.344 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -4.235 0.885 -0.065 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -3.161 1.777 -0.202 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -2.911 3.183 -0.163 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -1.541 3.377 -0.405 0.00 0.00 +0.052 A ATOM 16 N LIG 1 -0.975 2.126 -0.594 0.00 0.00 -0.311 N ATOM 17 C LIG 1 0.409 1.893 -0.991 0.00 0.00 +0.224 C ATOM 18 C LIG 1 1.456 2.109 0.108 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -0.965 4.661 -0.437 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -1.790 5.765 -0.216 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.147 5.601 0.027 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.715 4.323 0.055 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -2.435 -2.524 -0.428 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -3.079 -3.776 -0.311 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -2.330 -4.952 -0.334 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -0.950 -4.897 -0.455 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -0.286 -3.672 -0.578 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -1.938 1.175 -0.450 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -1.037 -2.480 -0.592 0.00 0.00 +0.053 A ATOM 30 C LIG 1 1.537 -1.393 -1.887 0.00 0.00 +0.069 C ATOM 31 O LIG 1 0.531 0.659 -1.693 0.00 0.00 -0.328 OA ATOM 32 C LIG 1 2.342 0.871 0.289 0.00 0.00 +0.114 C ENDROOT BRANCH 32 33 ATOM 33 N LIG 1 3.350 0.984 1.384 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.430 0.095 1.513 0.00 0.00 +0.247 C ATOM 35 O LIG 1 5.038 -0.100 2.562 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 3.003 1.746 2.581 0.00 0.00 +0.132 C BRANCH 34 37 ATOM 37 C LIG 1 4.874 -0.675 0.331 0.00 0.00 +0.037 A ATOM 38 C LIG 1 4.866 -2.072 0.393 0.00 0.00 +0.013 A ATOM 39 C LIG 1 5.287 -2.814 -0.710 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.732 -2.160 -1.861 0.00 0.00 +0.000 A ATOM 41 C LIG 1 5.772 -0.765 -1.908 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.352 -0.018 -0.808 0.00 0.00 +0.013 A ENDBRANCH 34 37 ENDBRANCH 32 33 BRANCH 1 44 ATOM 43 C LIG 1 0.492 -1.106 2.514 0.00 0.00 +0.194 C ATOM 44 O LIG 1 0.521 -0.080 1.528 0.00 0.00 -0.373 OA ENDBRANCH 1 44 BRANCH 7 45 ATOM 45 O LIG 1 -5.974 -1.881 -0.984 0.00 0.00 -0.370 OA ATOM 46 H LIG 1 -5.702 -1.399 -1.783 0.00 0.00 +0.212 HD ENDBRANCH 7 45 TORSDOF 4