REMARK Name = BDB052351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.744 -6.189 -0.057 0.00 0.00 -0.271 N ATOM 2 N LIG 1 1.456 -5.199 0.502 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 1.214 -4.124 -0.271 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.289 -4.456 -1.313 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.024 -5.799 -1.144 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.332 -3.664 -2.351 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -1.070 -2.512 -2.018 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.616 -1.793 -3.075 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.271 -0.710 -2.559 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -2.753 -0.025 -3.122 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.188 -0.708 -1.185 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -1.535 -2.073 -4.389 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.825 -3.193 -4.649 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.450 -1.824 -0.829 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -0.219 -4.006 -3.702 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -2.797 0.337 -0.367 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.811 0.060 0.571 0.00 0.00 -0.041 A ATOM 18 C LIG 1 -4.331 -1.334 0.796 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -4.345 1.114 1.335 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -3.903 2.435 1.166 0.00 0.00 -0.033 A ATOM 21 C LIG 1 -2.899 2.695 0.227 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.353 1.658 -0.530 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 C LIG 1 -4.484 3.557 2.002 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 -5.073 4.645 1.199 0.00 0.00 -0.304 NA ATOM 25 C LIG 1 -5.387 5.787 2.059 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -6.282 4.201 0.501 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 27 ATOM 27 C LIG 1 1.860 -2.841 0.023 0.00 0.00 +0.003 A ATOM 28 C LIG 1 2.085 -2.458 1.351 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.679 -1.226 1.649 0.00 0.00 +0.024 A ATOM 30 C LIG 1 3.069 -0.355 0.625 0.00 0.00 +0.035 A ATOM 31 C LIG 1 2.856 -0.738 -0.699 0.00 0.00 +0.024 A ATOM 32 C LIG 1 2.264 -1.973 -0.997 0.00 0.00 +0.012 A BRANCH 30 33 ATOM 33 N LIG 1 3.641 0.875 1.010 0.00 0.00 -0.269 N ATOM 34 H LIG 1 3.759 1.012 2.002 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 4.216 1.837 0.191 0.00 0.00 +0.308 C ATOM 36 N LIG 1 4.547 2.959 0.940 0.00 0.00 -0.269 N ATOM 37 H LIG 1 4.122 3.020 1.852 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 4.405 1.715 -1.011 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 5.239 4.110 0.508 0.00 0.00 +0.035 A ATOM 40 C LIG 1 5.314 5.185 1.404 0.00 0.00 +0.023 A ATOM 41 C LIG 1 5.992 6.358 1.057 0.00 0.00 +0.002 A ATOM 42 C LIG 1 6.604 6.465 -0.189 0.00 0.00 +0.000 A ATOM 43 C LIG 1 6.540 5.399 -1.084 0.00 0.00 +0.002 A ATOM 44 C LIG 1 5.862 4.226 -0.736 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 3 27 BRANCH 1 46 ATOM 45 C LIG 1 1.988 -8.312 0.046 0.00 0.00 +0.029 C ATOM 46 C LIG 1 0.785 -7.517 0.522 0.00 0.00 +0.140 C ENDBRANCH 1 46 TORSDOF 8