REMARK Name = BDB016514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.104 -5.289 -1.960 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -0.378 -4.112 -1.702 0.00 0.00 +0.267 C ATOM 3 C LIG 1 -1.802 -3.681 -1.765 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -2.224 -2.727 -0.894 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 -3.544 -2.420 -0.921 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -4.454 -3.048 -1.772 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -3.999 -4.036 -2.638 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -3.979 -1.359 -0.031 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -5.191 -0.634 0.028 0.00 0.00 +0.144 A ATOM 10 N LIG 1 -5.173 0.333 0.948 0.00 0.00 -0.179 NA ATOM 11 N LIG 1 -3.931 0.251 1.462 0.00 0.00 -0.271 N ATOM 12 C LIG 1 -3.481 1.266 2.393 0.00 0.00 +0.143 C ATOM 13 C LIG 1 -2.322 2.132 1.883 0.00 0.00 +0.023 C ATOM 14 C LIG 1 -2.546 2.734 0.486 0.00 0.00 +0.002 C ATOM 15 C LIG 1 -1.691 2.027 -0.570 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -2.072 2.414 -1.996 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -1.159 1.789 -3.055 0.00 0.00 +0.104 C ATOM 18 N LIG 1 -1.438 0.386 -3.327 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -2.074 0.201 -4.090 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -0.758 -0.766 -2.977 0.00 0.00 +0.266 C ATOM 21 O LIG 1 -1.013 -1.766 -3.654 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 0.232 -0.795 -1.880 0.00 0.00 +0.168 A ATOM 23 C LIG 1 0.800 -1.933 -1.203 0.00 0.00 +0.084 A ATOM 24 C LIG 1 1.791 -1.407 -0.400 0.00 0.00 +0.132 A ATOM 25 N LIG 1 1.742 -0.060 -0.553 0.00 0.00 -0.266 N ATOM 26 N LIG 1 0.835 0.334 -1.450 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -3.208 -0.793 0.965 0.00 0.00 +0.118 A ATOM 28 C LIG 1 -2.651 -4.364 -2.633 0.00 0.00 +0.033 A ATOM 29 N LIG 1 0.629 -3.305 -1.232 0.00 0.00 -0.277 N ATOM 30 H LIG 1 1.425 -3.849 -0.928 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 31 ATOM 31 C LIG 1 2.545 0.945 0.133 0.00 0.00 +0.110 C ATOM 32 C LIG 1 2.251 0.973 1.634 0.00 0.00 +0.042 C ATOM 33 C LIG 1 3.094 2.038 2.328 0.00 0.00 +0.086 C ATOM 34 N LIG 1 4.518 1.978 2.023 0.00 0.00 -0.300 NA ATOM 35 C LIG 1 4.848 1.828 0.611 0.00 0.00 +0.086 C ATOM 36 C LIG 1 4.042 0.757 -0.119 0.00 0.00 +0.042 C BRANCH 34 37 ATOM 37 C LIG 1 5.354 1.235 2.968 0.00 0.00 +0.112 C BRANCH 37 38 ATOM 38 C LIG 1 5.216 -0.291 3.021 0.00 0.00 +0.171 C BRANCH 38 39 ATOM 39 O LIG 1 6.110 -0.813 4.000 0.00 0.00 -0.394 OA ATOM 40 H LIG 1 5.998 -1.779 4.007 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 25 31 TORSDOF 4