REMARK Name = BDB008828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.867 -1.487 1.063 0.00 0.00 +0.149 A ATOM 2 C LIG 1 1.482 -1.571 0.933 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.863 -2.809 0.902 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.488 -2.700 0.785 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -0.744 -1.407 0.733 0.00 0.00 +0.144 A ATOM 6 N LIG 1 1.506 -3.982 0.990 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.834 -3.814 1.126 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.433 -0.679 0.836 0.00 0.00 -0.315 N ATOM 9 N LIG 1 3.523 -2.659 1.166 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.088 -0.837 0.643 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -3.016 -1.105 1.653 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.313 -0.562 1.629 0.00 0.00 -0.041 A ATOM 13 C LIG 1 -4.650 0.264 0.539 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -3.751 0.542 -0.510 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -2.470 -0.035 -0.435 0.00 0.00 +0.015 A BRANCH 12 16 ATOM 16 C LIG 1 -5.295 -0.869 2.776 0.00 0.00 -0.013 C ATOM 17 C LIG 1 -4.732 -0.289 4.092 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -5.474 -2.395 2.928 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -6.705 -0.269 2.575 0.00 0.00 +0.015 C ENDBRANCH 12 16 BRANCH 14 20 ATOM 20 C LIG 1 -4.122 1.433 -1.711 0.00 0.00 -0.013 C ATOM 21 C LIG 1 -3.148 2.629 -1.790 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -5.552 2.015 -1.644 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -4.024 0.612 -3.014 0.00 0.00 +0.015 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 3.566 -0.290 1.118 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.110 0.474 0.640 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 5.630 0.825 1.697 0.00 0.00 +0.028 C ATOM 27 C LIG 1 5.012 -0.312 0.876 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 5.307 -0.073 -0.607 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.970 -1.214 -1.609 0.00 0.00 +0.005 C ATOM 30 C LIG 1 6.216 -0.775 -2.407 0.00 0.00 +0.001 C ATOM 31 C LIG 1 6.782 -0.240 -1.077 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 3.615 -5.096 1.231 0.00 0.00 +0.375 C ATOM 33 O LIG 1 4.823 -5.192 1.358 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 2.785 -6.176 1.161 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 1.851 -5.877 1.056 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 0.521 0.771 0.949 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C LIG 1 1.079 1.462 -0.280 0.00 0.00 -0.028 A ATOM 38 C LIG 1 1.103 0.880 -1.556 0.00 0.00 +0.006 A ATOM 39 C LIG 1 1.648 1.567 -2.645 0.00 0.00 +0.013 A ATOM 40 C LIG 1 2.167 2.860 -2.489 0.00 0.00 +0.055 A ATOM 41 C LIG 1 2.135 3.449 -1.220 0.00 0.00 +0.013 A ATOM 42 C LIG 1 1.590 2.762 -0.132 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 2.785 3.585 -3.661 0.00 0.00 +0.417 C ATOM 44 F LIG 1 4.115 3.324 -3.784 0.00 0.00 -0.166 F ATOM 45 F LIG 1 2.676 4.939 -3.568 0.00 0.00 -0.166 F ATOM 46 F LIG 1 2.224 3.247 -4.855 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 11