REMARK Name = BDB064564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.650 -3.258 -1.358 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -4.061 -2.047 -0.783 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -3.088 -1.163 -0.292 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -3.257 0.051 0.303 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -2.052 0.513 0.589 0.00 0.00 +0.132 A ATOM 6 N LIG 1 -1.084 -0.408 0.206 0.00 0.00 -0.323 N ATOM 7 C LIG 1 -1.742 -1.485 -0.378 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -1.307 -2.686 -0.958 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.286 -3.563 -1.444 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.989 -4.529 -4.381 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -4.789 -4.766 -3.158 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.630 -4.193 -1.868 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.641 -4.761 -1.124 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -6.084 -4.660 0.281 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -6.357 -5.606 -1.914 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -5.821 -5.618 -3.188 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 C LIG 1 -1.818 1.862 1.246 0.00 0.00 +0.147 C ATOM 18 N LIG 1 -2.658 2.884 0.592 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -3.985 3.071 0.992 0.00 0.00 +0.220 C ATOM 20 O LIG 1 -4.732 3.934 0.520 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.539 2.171 2.086 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -3.554 1.542 3.057 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -2.101 1.853 2.748 0.00 0.00 +0.031 C BRANCH 18 24 ATOM 24 C LIG 1 -2.138 3.577 -0.554 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -0.811 4.026 -0.591 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -0.320 4.683 -1.720 0.00 0.00 +0.160 A ATOM 27 F LIG 1 0.951 5.108 -1.722 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -1.132 4.906 -2.822 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -0.651 5.530 -3.905 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.452 4.481 -2.807 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.950 3.822 -1.677 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 5 17 BRANCH 6 32 ATOM 32 C LIG 1 0.368 -0.356 0.367 0.00 0.00 +0.091 C ATOM 33 C LIG 1 0.851 -0.328 1.826 0.00 0.00 +0.040 C ATOM 34 C LIG 1 1.763 0.861 2.112 0.00 0.00 +0.087 C ATOM 35 N LIG 1 2.879 0.999 1.175 0.00 0.00 -0.292 NA ATOM 36 C LIG 1 2.556 0.690 -0.227 0.00 0.00 +0.087 C ATOM 37 C LIG 1 1.057 0.679 -0.524 0.00 0.00 +0.040 C BRANCH 35 38 ATOM 38 C LIG 1 4.089 0.277 1.644 0.00 0.00 +0.205 C BRANCH 38 39 ATOM 39 C LIG 1 5.360 0.611 0.855 0.00 0.00 +0.322 C ATOM 40 O LIG 1 5.458 1.404 -0.069 0.00 0.00 -0.249 OA BRANCH 39 41 ATOM 41 O LIG 1 6.381 -0.149 1.354 0.00 0.00 -0.458 OA BRANCH 41 42 ATOM 42 C LIG 1 7.719 -0.052 0.798 0.00 0.00 +0.105 C ATOM 43 C LIG 1 8.552 -1.055 1.611 0.00 0.00 +0.055 C ATOM 44 C LIG 1 8.305 1.350 1.006 0.00 0.00 +0.055 C ATOM 45 C LIG 1 7.745 -0.475 -0.675 0.00 0.00 +0.055 C ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 6 32 TORSDOF 8