REMARK Name = BDB065068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.018 -1.388 -3.008 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -1.750 -1.756 -1.846 0.00 0.00 +0.148 A ATOM 3 C LIG 1 -2.042 -3.096 -1.642 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -2.754 -3.385 -0.498 0.00 0.00 +0.124 A ATOM 5 N LIG 1 -3.152 -2.455 0.391 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -2.811 -1.185 0.113 0.00 0.00 +0.164 A ATOM 7 C LIG 1 -1.617 -4.115 -2.587 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.920 -3.745 -3.666 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -2.131 -0.796 -0.980 0.00 0.00 -0.209 NA ATOM 10 C LIG 1 -0.575 -2.324 -3.925 0.00 0.00 +0.253 A ATOM 11 O LIG 1 0.080 -2.064 -4.931 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.130 -0.158 1.101 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -4.429 0.061 1.624 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -4.676 1.035 2.599 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.055 0.943 2.873 0.00 0.00 +0.143 A ATOM 16 N LIG 1 -6.663 0.014 2.140 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -3.627 1.840 3.078 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -2.344 1.659 2.567 0.00 0.00 +0.001 A ATOM 19 N LIG 1 -5.671 -0.492 1.375 0.00 0.00 -0.266 N ATOM 20 C LIG 1 -6.033 -1.485 0.391 0.00 0.00 +0.173 C ATOM 21 C LIG 1 -2.107 0.682 1.604 0.00 0.00 +0.014 A ENDBRANCH 6 12 BRANCH 1 22 ATOM 22 C LIG 1 -0.708 0.022 -3.223 0.00 0.00 +0.162 C BRANCH 22 26 ATOM 23 C LIG 1 2.587 1.395 -0.772 0.00 0.00 +0.017 A ATOM 24 C LIG 1 2.809 0.468 -1.796 0.00 0.00 +0.012 A ATOM 25 C LIG 1 1.749 0.025 -2.591 0.00 0.00 +0.006 A ATOM 26 C LIG 1 0.451 0.513 -2.382 0.00 0.00 -0.028 A ATOM 27 C LIG 1 0.243 1.479 -1.387 0.00 0.00 +0.006 A ATOM 28 C LIG 1 1.303 1.920 -0.593 0.00 0.00 +0.012 A BRANCH 23 30 ATOM 29 N LIG 1 4.192 1.188 1.175 0.00 0.00 -0.327 N ATOM 30 C LIG 1 3.682 1.851 0.076 0.00 0.00 +0.142 A ATOM 31 N LIG 1 4.310 3.000 -0.096 0.00 0.00 -0.224 NA ATOM 32 C LIG 1 5.279 3.088 0.888 0.00 0.00 +0.162 A ATOM 33 C LIG 1 5.211 1.961 1.683 0.00 0.00 +0.120 A BRANCH 32 34 ATOM 34 C LIG 1 6.206 4.263 1.010 0.00 0.00 +0.436 C ATOM 35 F LIG 1 5.704 5.219 1.837 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.410 3.899 1.535 0.00 0.00 -0.164 F ATOM 37 F LIG 1 6.471 4.864 -0.179 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 29 39 ATOM 38 C LIG 1 4.283 -1.288 0.978 0.00 0.00 +0.030 C ATOM 39 C LIG 1 3.786 -0.082 1.773 0.00 0.00 +0.083 C ATOM 40 C LIG 1 2.292 -0.182 2.088 0.00 0.00 +0.030 C ENDBRANCH 29 39 ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 6