REMARK Name = BDB022883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.669 3.482 2.535 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.351 2.561 1.858 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.268 1.831 0.723 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.086 0.741 1.016 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.307 0.417 2.186 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.185 2.212 -0.622 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.693 2.149 -0.679 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.385 2.714 0.375 0.00 0.00 -0.005 A ATOM 9 C LIG 1 3.752 2.629 0.296 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.387 2.002 -0.710 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.630 1.451 -1.672 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.292 1.519 -1.708 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 1.618 3.377 1.474 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -1.652 -0.089 -0.143 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -2.926 -0.862 0.292 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -3.071 -2.162 -0.528 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -1.940 -3.094 -0.376 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -2.241 -4.150 0.590 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -0.677 -2.428 -0.027 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -0.559 -1.045 -0.663 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.156 0.037 0.211 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.775 0.353 -1.008 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.885 1.200 -1.045 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.387 1.748 0.133 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.777 1.452 1.350 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.667 0.606 1.389 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.215 0.718 -2.694 0.00 0.00 -0.309 N ATOM 28 H LIG 1 3.449 0.254 -3.171 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.256 -0.197 -2.246 0.00 0.00 +0.145 C BRANCH 29 30 ATOM 30 C LIG 1 4.719 -1.327 -1.411 0.00 0.00 +0.040 A ATOM 31 C LIG 1 3.823 -2.256 -1.942 0.00 0.00 +0.131 A ATOM 32 F LIG 1 3.437 -2.152 -3.223 0.00 0.00 -0.205 F ATOM 33 C LIG 1 3.309 -3.299 -1.172 0.00 0.00 +0.039 A ATOM 34 C LIG 1 3.692 -3.426 0.162 0.00 0.00 +0.006 A ATOM 35 C LIG 1 4.589 -2.511 0.710 0.00 0.00 +0.039 A ATOM 36 C LIG 1 5.097 -1.479 -0.077 0.00 0.00 +0.131 A ATOM 37 F LIG 1 5.972 -0.628 0.477 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5