REMARK Name = BDB057259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.149 1.069 0.603 0.00 0.00 +0.012 A ATOM 2 C LIG 1 -2.057 1.861 -0.108 0.00 0.00 +0.126 A ATOM 3 C LIG 1 -3.346 1.408 -0.382 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -3.756 0.160 0.088 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.885 -0.650 0.830 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.584 -0.185 1.075 0.00 0.00 +0.018 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.347 -1.944 1.314 0.00 0.00 +0.089 A ATOM 8 N LIG 1 -4.563 -2.504 0.925 0.00 0.00 -0.232 NA ATOM 9 C LIG 1 -4.615 -3.638 1.571 0.00 0.00 +0.110 A ATOM 10 C LIG 1 -5.558 -4.764 1.698 0.00 0.00 +0.076 C ATOM 11 C LIG 1 -4.688 -5.822 2.424 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -3.543 -5.049 3.105 0.00 0.00 +0.123 C ATOM 13 N LIG 1 -3.517 -3.819 2.348 0.00 0.00 -0.334 N ATOM 14 C LIG 1 -2.684 -2.773 2.211 0.00 0.00 +0.115 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 C LIG 1 0.274 1.512 0.860 0.00 0.00 +0.146 C BRANCH 15 17 ATOM 16 C LIG 1 1.891 -0.310 0.655 0.00 0.00 +0.247 C ATOM 17 N LIG 1 1.252 0.775 0.055 0.00 0.00 -0.293 N ATOM 18 O LIG 1 1.748 -0.638 1.830 0.00 0.00 -0.270 OA BRANCH 16 24 ATOM 19 C LIG 1 4.947 -1.476 -1.203 0.00 0.00 +0.124 A ATOM 20 C LIG 1 4.490 -2.710 -1.711 0.00 0.00 -0.009 A ATOM 21 C LIG 1 5.390 -3.567 -2.559 0.00 0.00 +0.047 C ATOM 22 C LIG 1 3.186 -3.146 -1.423 0.00 0.00 +0.007 A ATOM 23 C LIG 1 2.337 -2.364 -0.645 0.00 0.00 +0.013 A ATOM 24 C LIG 1 2.795 -1.139 -0.160 0.00 0.00 +0.040 A ATOM 25 C LIG 1 4.097 -0.699 -0.414 0.00 0.00 +0.059 A BRANCH 19 27 ATOM 26 C LIG 1 6.681 0.161 -1.159 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.232 -1.135 -1.536 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 16 24 BRANCH 17 28 ATOM 28 C LIG 1 1.298 1.063 -1.384 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 1.682 2.489 -1.655 0.00 0.00 +0.006 C ATOM 30 C LIG 1 2.792 2.808 -2.627 0.00 0.00 +0.005 C ATOM 31 C LIG 1 2.985 3.069 -1.161 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 17 28 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 2 32 ATOM 32 O LIG 1 -1.663 3.083 -0.591 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -2.156 4.212 0.168 0.00 0.00 +0.173 C ATOM 34 C LIG 1 -3.475 4.863 -0.325 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -2.850 6.230 0.006 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -1.472 5.563 -0.162 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 9