REMARK Name = BDB056337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.179 -0.012 -1.012 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.133 -0.675 -0.121 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.339 -1.782 0.388 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.068 0.009 0.045 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.359 1.290 -0.540 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.434 2.364 -0.629 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.857 3.564 -1.244 0.00 0.00 +0.025 A ATOM 8 C LIG 1 2.151 3.736 -1.732 0.00 0.00 +0.002 A ATOM 9 C LIG 1 3.064 2.707 -1.609 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.899 2.347 -0.083 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -1.378 3.475 0.627 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -0.671 4.442 0.913 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.673 1.507 -1.016 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.736 1.155 -0.211 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.221 -1.433 -0.664 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.161 -1.012 -1.449 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.784 -1.798 -1.980 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.696 -0.772 0.253 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.782 -2.805 -1.124 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -4.530 -3.477 0.026 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -3.081 -4.825 -2.320 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -2.645 -3.615 -1.637 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -2.048 -3.869 -0.843 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.104 -0.658 0.849 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 2.998 -1.674 0.142 0.00 0.00 -0.022 A ATOM 26 C LIG 1 4.130 -2.221 0.823 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.956 -3.156 0.145 0.00 0.00 -0.018 A ATOM 28 C LIG 1 6.080 -3.703 0.785 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.407 -3.348 2.092 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.610 -2.442 2.776 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.649 -3.540 -1.166 0.00 0.00 +0.008 A ATOM 32 C LIG 1 3.537 -3.021 -1.818 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.489 -1.889 2.152 0.00 0.00 +0.009 A ATOM 34 C LIG 1 2.719 -2.101 -1.171 0.00 0.00 +0.006 A ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 35 ATOM 35 C LIG 1 -2.851 3.434 1.056 0.00 0.00 +0.099 C BRANCH 35 36 ATOM 36 C LIG 1 -3.397 4.664 1.806 0.00 0.00 -0.008 C ATOM 37 C LIG 1 -3.375 5.936 0.958 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -2.724 4.885 3.161 0.00 0.00 +0.008 C ENDBRANCH 35 36 ENDBRANCH 11 35 TORSDOF 7