REMARK Name = BDB056014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.332 0.620 0.430 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -2.241 -0.658 0.905 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -2.964 -1.368 0.850 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -1.054 -0.954 1.459 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -0.334 0.175 1.336 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -1.107 1.186 0.691 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.047 0.263 1.829 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.582 -0.757 2.630 0.00 0.00 +0.010 A ATOM 9 C LIG 1 2.893 -0.684 3.110 0.00 0.00 +0.006 A ATOM 10 C LIG 1 3.704 0.414 2.799 0.00 0.00 -0.030 A ATOM 11 C LIG 1 3.181 1.430 1.990 0.00 0.00 +0.006 A ATOM 12 C LIG 1 1.866 1.357 1.514 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 5.127 0.475 3.293 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 6.000 -0.333 2.467 0.00 0.00 -0.295 N ATOM 15 H LIG 1 5.828 -0.254 1.476 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 6.378 -1.582 2.862 0.00 0.00 +0.305 C ATOM 17 N LIG 1 7.154 -2.300 2.012 0.00 0.00 -0.252 N ATOM 18 H LIG 1 7.286 -3.267 2.278 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 6.033 -2.079 3.933 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 7.894 -1.920 0.916 0.00 0.00 +0.169 A ATOM 21 N LIG 1 8.532 -2.857 0.206 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 9.191 -2.197 -0.808 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 8.964 -0.859 -0.708 0.00 0.00 +0.144 A ATOM 24 C LIG 1 8.158 -0.637 0.386 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 9.631 0.038 -1.716 0.00 0.00 +0.023 C ATOM 26 C LIG 1 10.872 0.683 -1.075 0.00 0.00 +0.019 C ATOM 27 C LIG 1 10.069 -0.747 -2.968 0.00 0.00 +0.019 C ATOM 28 C LIG 1 8.657 1.145 -2.160 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 29 ATOM 29 N LIG 1 -3.450 1.121 -0.149 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.368 1.992 -0.663 0.00 0.00 +0.155 HD BRANCH 29 36 ATOM 31 C LIG 1 -5.745 -3.091 -0.654 0.00 0.00 +0.088 C ATOM 32 C LIG 1 -5.726 -1.600 -0.776 0.00 0.00 +0.130 A ATOM 33 N LIG 1 -6.835 -0.997 -1.233 0.00 0.00 -0.218 NA ATOM 34 C LIG 1 -6.840 0.342 -1.304 0.00 0.00 +0.127 A ATOM 35 C LIG 1 -5.707 1.063 -0.970 0.00 0.00 +0.087 A ATOM 36 C LIG 1 -4.591 0.373 -0.534 0.00 0.00 +0.129 A ATOM 37 N LIG 1 -4.607 -0.964 -0.397 0.00 0.00 -0.217 NA BRANCH 34 38 ATOM 38 N LIG 1 -7.985 1.016 -1.767 0.00 0.00 -0.313 N ATOM 39 C LIG 1 -8.547 2.004 -0.819 0.00 0.00 +0.122 C ATOM 40 C LIG 1 -9.456 1.333 0.242 0.00 0.00 +0.103 C ATOM 41 N LIG 1 -10.535 0.479 -0.300 0.00 0.00 -0.302 NA ATOM 42 C LIG 1 -11.602 1.271 -0.907 0.00 0.00 +0.105 C ATOM 43 C LIG 1 -9.950 -0.483 -1.265 0.00 0.00 +0.103 C ATOM 44 C LIG 1 -9.029 0.139 -2.346 0.00 0.00 +0.122 C ENDBRANCH 34 38 ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 8