REMARK Name = BDB027186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.968 -0.047 -0.289 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.965 1.165 0.308 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.827 1.896 0.242 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.354 1.502 -0.393 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.351 0.229 -0.985 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.833 -0.536 -0.938 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.692 -2.229 0.029 0.00 0.00 +0.155 A ATOM 8 C LIG 1 5.290 -1.334 1.020 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.037 -1.114 2.112 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.088 -0.632 0.910 0.00 0.00 +0.052 A ATOM 11 C LIG 1 3.237 -0.801 -0.196 0.00 0.00 +0.003 A ATOM 12 C LIG 1 3.656 -1.698 -1.194 0.00 0.00 +0.014 A ATOM 13 C LIG 1 4.863 -2.402 -1.080 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 7.719 -2.855 1.106 0.00 0.00 +0.277 C ATOM 15 O LIG 1 6.834 -2.982 -0.000 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.511 2.294 -0.416 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -1.335 3.689 -0.870 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -2.667 4.457 -0.719 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -3.077 4.525 0.763 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -2.542 3.346 1.582 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -2.389 2.076 0.752 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 -2.624 5.804 -1.299 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -1.947 6.379 -0.798 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.528 6.258 -1.170 0.00 0.00 +0.119 HD ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 5 25 ATOM 25 C LIG 1 -1.562 -0.280 -1.738 0.00 0.00 +0.161 C BRANCH 25 26 ATOM 26 N LIG 1 -1.909 -1.649 -1.397 0.00 0.00 -0.310 N ATOM 27 C LIG 1 -2.559 -2.069 -0.270 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -2.667 -3.443 -0.417 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -3.293 -4.143 0.629 0.00 0.00 +0.147 A ATOM 30 N LIG 1 -3.764 -3.441 1.685 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 -3.587 -2.102 1.693 0.00 0.00 +0.225 A ATOM 32 N LIG 1 -2.131 -3.854 -1.622 0.00 0.00 -0.231 NA ATOM 33 N LIG 1 -3.001 -1.326 0.759 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 -1.698 -2.748 -2.189 0.00 0.00 +0.202 A BRANCH 29 35 ATOM 35 N LIG 1 -3.473 -5.520 0.622 0.00 0.00 -0.341 N ATOM 36 H LIG 1 -4.232 -5.809 1.225 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -3.421 -5.928 -0.304 0.00 0.00 +0.144 HD ENDBRANCH 29 35 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7