REMARK Name = BDB035227 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.374 -1.657 2.133 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -4.437 -1.623 0.948 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -4.325 -0.500 0.156 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.345 -0.448 -0.846 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -3.085 0.581 -1.473 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.598 -1.692 -1.148 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -2.865 -2.779 -0.317 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -2.198 -3.985 -0.528 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -1.282 -4.111 -1.567 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.022 -3.022 -2.400 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -1.652 -1.783 -2.202 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -3.775 -2.715 0.739 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -5.102 0.744 0.337 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -4.677 1.530 1.580 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -3.650 1.313 2.216 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -5.532 2.544 1.955 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -5.260 3.061 2.781 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -6.818 2.756 1.522 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -7.547 3.571 2.079 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.266 1.967 0.311 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -6.622 0.586 0.280 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.434 -0.715 -3.089 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -1.870 0.145 -2.731 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.117 -0.470 -3.669 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.935 -0.090 -2.622 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 0.621 1.228 -1.906 0.00 0.00 +0.003 C BRANCH 26 27 ATOM 27 C LIG 1 1.752 1.698 -0.985 0.00 0.00 +0.015 C BRANCH 27 28 ATOM 28 C LIG 1 1.937 0.801 0.245 0.00 0.00 +0.081 C BRANCH 28 29 ATOM 29 N LIG 1 2.954 1.315 1.162 0.00 0.00 -0.310 NA ATOM 30 H LIG 1 3.037 2.326 1.072 0.00 0.00 +0.122 HD BRANCH 29 31 ATOM 31 C LIG 1 4.262 0.685 1.088 0.00 0.00 +0.022 C ATOM 32 C LIG 1 4.252 -0.824 1.432 0.00 0.00 +0.026 C ATOM 33 C LIG 1 5.686 -1.031 1.923 0.00 0.00 -0.009 C ATOM 34 C LIG 1 5.749 0.086 2.965 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.682 -0.735 0.767 0.00 0.00 +0.007 C ATOM 36 C LIG 1 6.454 0.679 0.164 0.00 0.00 -0.009 C ATOM 37 C LIG 1 6.492 1.727 1.278 0.00 0.00 +0.009 C ATOM 38 C LIG 1 5.290 1.292 2.131 0.00 0.00 +0.010 C ATOM 39 C LIG 1 4.993 0.837 -0.265 0.00 0.00 +0.026 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 9