REMARK Name = BDB000065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.264 0.314 -1.066 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.689 -0.351 -0.413 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.185 0.859 -1.970 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.549 0.794 -1.715 0.00 0.00 +0.071 A ATOM 5 C LIG 1 3.269 0.178 -0.600 0.00 0.00 +0.256 C ATOM 6 N LIG 1 4.599 0.421 -0.801 0.00 0.00 -0.222 N ATOM 7 C LIG 1 4.813 1.075 -1.984 0.00 0.00 +0.255 C ATOM 8 O LIG 1 5.866 1.401 -2.496 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 2.728 -0.446 0.296 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 3.498 1.338 -2.563 0.00 0.00 +0.051 A ATOM 11 C LIG 1 3.152 1.988 -3.729 0.00 0.00 +0.014 A ATOM 12 C LIG 1 1.791 2.072 -4.025 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.824 1.516 -3.156 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 5.681 -0.149 -0.011 0.00 0.00 +0.171 C ATOM 15 C LIG 1 5.818 -1.638 -0.347 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.425 -2.141 -1.398 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 6.483 -2.402 0.586 0.00 0.00 -0.255 N ATOM 18 H LIG 1 6.582 -3.383 0.363 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 6.892 -2.029 1.842 0.00 0.00 +0.219 C ATOM 20 O LIG 1 7.411 -2.837 2.606 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 6.725 -0.570 2.203 0.00 0.00 +0.098 C ATOM 22 C LIG 1 5.524 0.039 1.495 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 -1.901 -0.402 -0.169 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.089 0.600 -0.764 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -1.662 1.843 -1.090 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.020 2.091 -0.823 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -3.902 3.178 -0.993 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -5.138 2.911 -0.567 0.00 0.00 -0.178 NA ATOM 29 N LIG 1 -5.054 1.645 -0.105 0.00 0.00 -0.258 N ATOM 30 C LIG 1 -3.795 1.097 -0.240 0.00 0.00 +0.070 A ATOM 31 C LIG 1 -3.265 -0.154 0.098 0.00 0.00 +0.038 A BRANCH 23 37 ATOM 32 C LIG 1 0.675 -3.386 2.912 0.00 0.00 +0.065 C ATOM 33 C LIG 1 -0.127 -3.174 1.664 0.00 0.00 +0.039 A ATOM 34 N LIG 1 -0.323 -4.244 0.860 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -1.026 -4.048 -0.275 0.00 0.00 +0.111 A ATOM 36 C LIG 1 -1.558 -2.827 -0.650 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -1.361 -1.726 0.186 0.00 0.00 -0.013 A ATOM 38 C LIG 1 -0.632 -1.911 1.366 0.00 0.00 +0.031 A ENDBRANCH 23 37 BRANCH 29 39 ATOM 39 C LIG 1 -6.219 0.977 0.459 0.00 0.00 +0.136 C ATOM 40 C LIG 1 -6.213 1.032 1.983 0.00 0.00 +0.186 C ATOM 41 O LIG 1 -7.230 1.956 2.408 0.00 0.00 -0.378 OA ATOM 42 C LIG 1 -7.779 2.577 1.239 0.00 0.00 +0.162 C ATOM 43 C LIG 1 -7.562 1.596 0.109 0.00 0.00 +0.057 C ENDBRANCH 29 39 ENDBRANCH 1 24 TORSDOF 5