REMARK Name = BDB055475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.570 0.208 0.103 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.361 0.067 1.424 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.413 -0.160 2.211 0.00 0.00 +0.215 A ATOM 4 N LIG 1 2.676 -0.225 1.801 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 2.896 -0.075 0.480 0.00 0.00 +0.078 A ATOM 6 C LIG 1 1.856 0.154 -0.403 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.312 -0.153 0.053 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.336 0.287 0.919 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.665 0.207 0.485 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.028 -0.290 -0.759 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.445 -0.188 -0.785 0.00 0.00 +0.146 A ATOM 12 N LIG 1 8.935 0.330 0.337 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.019 -0.744 -1.625 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.844 0.545 1.092 0.00 0.00 -0.275 N ATOM 15 H LIG 1 7.972 0.932 2.019 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 4.679 -0.670 -1.205 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.219 -0.552 -1.819 0.00 0.00 -0.341 N ATOM 18 H LIG 1 10.173 -0.207 -1.784 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.831 -0.554 -2.753 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 -0.335 0.691 -3.176 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -0.583 -0.280 -2.018 0.00 0.00 +0.072 C ATOM 22 N LIG 1 -0.531 0.456 -0.738 0.00 0.00 -0.312 N ATOM 23 C LIG 1 -1.797 0.654 -0.006 0.00 0.00 +0.119 C ATOM 24 C LIG 1 -2.944 0.989 -0.961 0.00 0.00 +0.093 C ATOM 25 C LIG 1 -3.132 -0.073 -2.055 0.00 0.00 +0.016 C ATOM 26 C LIG 1 -1.929 -1.008 -2.172 0.00 0.00 +0.023 C BRANCH 24 27 ATOM 27 C LIG 1 -4.228 1.239 -0.174 0.00 0.00 +0.222 C ATOM 28 N LIG 1 -4.698 0.136 0.517 0.00 0.00 -0.285 N ATOM 29 H LIG 1 -4.179 -0.728 0.422 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -4.748 2.352 -0.198 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 -5.843 0.057 1.339 0.00 0.00 +0.033 A ATOM 32 C LIG 1 -6.119 -1.184 1.929 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -7.232 -1.349 2.759 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -8.080 -0.275 3.007 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.814 0.963 2.426 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -6.700 1.128 1.596 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 24 27 ENDBRANCH 1 22 BRANCH 3 37 ATOM 37 N LIG 1 1.176 -0.291 3.564 0.00 0.00 -0.327 N ATOM 38 H LIG 1 0.323 0.193 3.806 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 2.010 -0.045 4.079 0.00 0.00 +0.145 HD ENDBRANCH 3 37 TORSDOF 6