REMARK Name = BDB055473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.658 -0.939 -2.612 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -0.207 -2.068 -2.065 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.392 -2.260 -0.749 0.00 0.00 +0.127 A ATOM 4 C LIG 1 -1.022 -1.295 0.012 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -1.433 -0.139 -0.625 0.00 0.00 +0.078 A ATOM 6 N LIG 1 -1.271 0.036 -1.952 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.052 0.989 0.095 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.152 1.669 -0.467 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -3.706 2.741 0.244 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -3.220 3.170 1.472 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -4.058 4.261 1.827 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -4.995 4.496 0.913 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 -2.114 2.507 2.031 0.00 0.00 +0.014 A ATOM 14 N LIG 1 -4.751 3.579 -0.037 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -5.342 3.573 -0.860 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 -1.547 1.427 1.334 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -3.946 4.975 2.957 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -4.746 5.555 3.185 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -3.510 4.557 3.769 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.079 -3.437 -0.159 0.00 0.00 -0.314 N ATOM 21 C LIG 1 0.958 -3.293 1.012 0.00 0.00 +0.119 C ATOM 22 C LIG 1 2.421 -3.044 0.612 0.00 0.00 +0.093 C ATOM 23 C LIG 1 2.751 -3.465 -0.827 0.00 0.00 +0.016 C ATOM 24 C LIG 1 1.959 -4.710 -1.213 0.00 0.00 +0.020 C ATOM 25 C LIG 1 0.442 -4.535 -1.071 0.00 0.00 +0.106 C BRANCH 22 26 ATOM 26 C LIG 1 2.826 -1.617 0.969 0.00 0.00 +0.222 C ATOM 27 N LIG 1 2.344 -0.639 0.124 0.00 0.00 -0.285 N ATOM 28 H LIG 1 1.863 -0.944 -0.716 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 3.481 -1.422 1.992 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 2.426 0.761 0.288 0.00 0.00 +0.033 A ATOM 31 C LIG 1 2.996 1.388 1.397 0.00 0.00 +0.023 A ATOM 32 C LIG 1 2.999 2.784 1.500 0.00 0.00 +0.002 A ATOM 33 C LIG 1 2.432 3.564 0.496 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.866 2.949 -0.617 0.00 0.00 +0.002 A ATOM 35 C LIG 1 1.868 1.556 -0.721 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 -0.467 -0.769 -3.967 0.00 0.00 -0.327 N ATOM 37 H LIG 1 -1.153 -0.121 -4.329 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -0.400 -1.669 -4.420 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6