REMARK Name = BDB024687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.329 -0.611 -0.204 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.059 -0.844 -0.759 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.898 -1.824 -1.861 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.529 -1.306 -3.166 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.446 -2.214 -2.181 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.629 -2.323 -0.914 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.658 -0.978 -0.247 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.506 -0.425 0.353 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.733 -0.985 0.448 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.478 -0.130 1.107 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.770 1.046 1.375 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.538 0.821 0.979 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.748 1.515 1.079 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.896 0.954 0.497 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.876 -0.274 -0.170 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.589 0.138 0.733 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.377 2.222 2.011 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.476 2.883 1.139 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -2.005 4.002 0.206 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -1.197 5.047 0.974 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -0.031 4.425 1.731 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.473 3.291 2.658 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.260 3.477 -0.953 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -0.682 3.079 -1.876 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.610 -1.187 -0.257 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.302 -1.365 -0.800 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.902 -0.430 1.494 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.799 -0.626 0.255 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.781 -2.030 -0.332 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.306 -2.230 -1.638 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.282 -3.506 -2.203 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.731 -4.602 -1.471 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.200 -4.422 -0.172 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.223 -3.146 0.395 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.206 -0.155 0.566 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.845 0.661 -0.081 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.748 -0.698 1.675 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.664 -0.346 1.685 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8