REMARK Name = BDB035893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.086 -2.710 3.507 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.577 -1.550 2.698 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.355 -1.631 2.014 0.00 0.00 +0.141 A ATOM 4 C LIG 1 0.897 -0.545 1.270 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.391 -0.650 0.558 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.120 -1.945 0.683 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.550 -2.892 1.443 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.824 0.291 -0.101 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 1.648 0.633 1.195 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.875 0.733 1.864 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.645 -2.803 2.111 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.326 -0.365 2.616 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.419 -2.175 0.026 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.443 -1.221 0.143 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.683 -1.341 -0.521 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -4.862 -2.508 -1.290 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.869 -3.483 -1.403 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.649 -3.313 -0.753 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -5.810 -0.207 -0.449 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -7.228 -0.687 0.025 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -7.393 0.653 0.766 0.00 0.00 +0.169 C ATOM 22 F LIG 1 -7.987 0.587 1.979 0.00 0.00 -0.245 F ATOM 23 C LIG 1 -5.852 0.751 0.787 0.00 0.00 +0.056 C BRANCH 19 24 ATOM 24 C LIG 1 -5.853 0.599 -1.820 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -4.835 1.284 -2.429 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -3.475 1.444 -1.990 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -5.366 1.806 -3.568 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -6.632 1.475 -3.656 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -6.940 0.713 -2.556 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 3.698 2.002 1.781 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 4.662 2.096 0.676 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.734 1.098 0.744 0.00 0.00 +0.088 C ATOM 33 C LIG 1 6.832 1.403 -0.289 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.934 0.346 -0.237 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.236 1.494 -1.699 0.00 0.00 +0.006 C ATOM 36 C LIG 1 5.069 2.476 -1.724 0.00 0.00 +0.016 C ATOM 37 C LIG 1 4.036 2.139 -0.647 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 5