REMARK Name = BDB017467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.800 -0.597 1.223 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.648 0.718 0.744 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.395 1.121 0.267 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.274 0.300 0.273 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.228 1.105 -0.280 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.686 2.310 -0.649 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.420 -1.012 0.762 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.976 2.299 -0.284 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.529 3.131 -0.452 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.673 -1.435 1.232 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 11 N LIG 1 -8.415 -0.129 0.386 0.00 0.00 -0.262 N ATOM 12 C LIG 1 -7.679 -0.139 -0.815 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -6.441 -0.769 -0.586 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -5.557 -0.935 -1.645 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.910 -0.443 -2.906 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.139 0.204 -3.106 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -6.371 -1.146 0.867 0.00 0.00 +0.081 C ATOM 18 C LIG 1 -5.136 -1.073 1.745 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -5.708 -2.412 1.325 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -8.041 0.361 -2.053 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -7.694 -0.690 1.431 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -8.023 -0.769 2.606 0.00 0.00 -0.274 OA BRANCH 11 23 ATOM 23 C LIG 1 -9.722 0.457 0.562 0.00 0.00 +0.209 C BRANCH 23 27 ATOM 24 N LIG 1 -9.324 1.984 2.425 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -8.960 1.180 2.934 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -9.078 2.901 2.773 0.00 0.00 +0.145 HD ATOM 27 C LIG 1 -9.564 1.880 1.082 0.00 0.00 +0.228 C ATOM 28 O LIG 1 -9.603 2.875 0.364 0.00 0.00 -0.274 OA ENDBRANCH 23 27 ENDBRANCH 11 23 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 1.144 0.742 -0.484 0.00 0.00 +0.031 C ATOM 30 C LIG 1 1.869 -0.100 0.271 0.00 0.00 +0.010 C BRANCH 30 31 ATOM 31 C LIG 1 3.284 -0.408 0.022 0.00 0.00 -0.025 A ATOM 32 C LIG 1 4.147 -0.555 1.114 0.00 0.00 +0.008 A ATOM 33 C LIG 1 5.494 -0.876 0.918 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.002 -1.065 -0.375 0.00 0.00 -0.033 A ATOM 35 C LIG 1 5.134 -0.937 -1.466 0.00 0.00 +0.005 A ATOM 36 C LIG 1 3.787 -0.615 -1.268 0.00 0.00 +0.008 A BRANCH 34 37 ATOM 37 C LIG 1 7.460 -1.421 -0.582 0.00 0.00 +0.119 C BRANCH 37 38 ATOM 38 N LIG 1 8.389 -0.414 -0.045 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 9.767 -0.904 -0.048 0.00 0.00 +0.085 C ATOM 40 C LIG 1 10.664 0.035 0.767 0.00 0.00 +0.015 C ATOM 41 C LIG 1 10.316 1.514 0.585 0.00 0.00 +0.002 C ATOM 42 C LIG 1 9.538 1.736 -0.703 0.00 0.00 +0.015 C ATOM 43 C LIG 1 8.266 0.876 -0.748 0.00 0.00 +0.085 C ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 29 TORSDOF 7