REMARK Name = BDB053275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.685 -1.181 -1.095 0.00 0.00 +0.066 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.688 -1.394 -1.632 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.930 -1.159 -0.990 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -2.866 -1.513 -1.942 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -4.242 -1.443 -1.749 0.00 0.00 +0.095 A ATOM 6 C LIG 1 -4.694 -0.983 -0.503 0.00 0.00 +0.126 A ATOM 7 C LIG 1 -3.773 -0.616 0.479 0.00 0.00 +0.046 A ATOM 8 O LIG 1 -2.230 -1.929 -3.068 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.385 -0.697 0.255 0.00 0.00 +0.017 A ATOM 10 N LIG 1 -0.858 -1.855 -2.879 0.00 0.00 -0.082 NA BRANCH 6 11 ATOM 11 O LIG 1 -6.052 -0.950 -0.416 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 -6.817 -0.568 0.739 0.00 0.00 +0.200 C ATOM 13 C LIG 1 -6.600 -1.515 1.923 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -6.650 0.916 1.078 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 -8.278 -0.759 0.276 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -8.675 -1.146 -0.812 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -9.192 -0.447 1.225 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -10.048 -0.621 0.779 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.336 0.077 -1.669 0.00 0.00 +0.065 C BRANCH 19 21 ATOM 20 C LIG 1 2.907 1.356 -0.045 0.00 0.00 +0.131 A ATOM 21 C LIG 1 2.622 0.391 -0.991 0.00 0.00 +0.084 A ATOM 22 N LIG 1 3.758 -0.339 -1.262 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 4.683 0.203 -0.489 0.00 0.00 +0.231 A ATOM 24 O LIG 1 4.231 1.238 0.283 0.00 0.00 -0.440 OA BRANCH 23 25 ATOM 25 C LIG 1 6.087 -0.171 -0.365 0.00 0.00 +0.078 A ATOM 26 C LIG 1 6.614 -1.228 -1.128 0.00 0.00 +0.129 A ATOM 27 C LIG 1 7.954 -1.599 -1.018 0.00 0.00 +0.046 A ATOM 28 C LIG 1 8.795 -0.916 -0.142 0.00 0.00 +0.004 A ATOM 29 C LIG 1 8.295 0.136 0.623 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.950 0.505 0.512 0.00 0.00 +0.017 A BRANCH 26 31 ATOM 31 O LIG 1 5.861 -1.954 -2.015 0.00 0.00 -0.506 OA ATOM 32 H LIG 1 4.949 -1.593 -2.013 0.00 0.00 +0.292 HD ENDBRANCH 26 31 ENDBRANCH 23 25 BRANCH 20 34 ATOM 33 C LIG 1 2.709 3.801 0.378 0.00 0.00 +0.015 C ATOM 34 C LIG 1 2.121 2.416 0.647 0.00 0.00 +0.051 C ATOM 35 C LIG 1 2.039 2.141 2.148 0.00 0.00 +0.015 C ENDBRANCH 20 34 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 10