REMARK Name = BDB035632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.182 -0.625 -0.837 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.023 -0.892 -1.495 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.277 -1.044 -2.676 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.065 -0.968 -0.462 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.418 -1.212 -0.615 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.221 -1.237 0.535 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.622 -1.033 1.802 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.243 -0.777 1.941 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.478 -0.753 0.778 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.013 -0.520 0.603 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.900 -0.042 -1.197 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.592 -0.165 -0.659 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.467 -0.502 -1.436 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.667 -0.725 -2.798 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.945 -0.654 -3.353 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.048 -0.333 -2.560 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.100 0.346 -0.261 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -4.715 1.616 0.561 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -4.666 2.864 -0.312 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -5.933 3.070 -0.932 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -6.257 2.015 -1.835 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -6.381 0.694 -1.078 0.00 0.00 +0.047 C BRANCH 17 25 ATOM 23 C LIG 1 -7.564 -0.155 1.875 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.417 -0.980 1.603 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.374 -0.821 0.711 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -4.572 -1.866 0.864 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -5.078 -2.697 1.824 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.188 -2.159 2.256 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.615 -0.558 3.290 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.808 -1.589 3.658 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.519 -0.409 4.296 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.832 0.557 3.324 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.704 -1.528 0.432 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.374 -0.735 -0.603 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 7.012 -1.345 -1.112 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.003 0.500 -0.090 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.361 0.167 0.587 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.056 0.331 -0.779 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.820 1.113 -1.265 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.069 1.475 0.597 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7