REMARK Name = BDB035619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.011 -0.623 0.926 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.279 -0.734 1.510 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.620 -0.959 2.656 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.263 -0.527 0.440 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.644 -0.536 0.524 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.373 -0.309 -0.650 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.684 -0.072 -1.866 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.278 -0.068 -1.934 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.583 -0.300 -0.750 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.111 -0.349 -0.501 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.702 -0.738 1.507 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.446 -0.627 0.874 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.241 -0.737 1.591 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.325 -0.958 2.970 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.562 -1.054 3.615 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.744 -0.940 2.891 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.983 -0.609 0.686 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.671 -3.618 -0.081 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.784 -3.034 0.618 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.959 -1.720 0.978 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -7.105 -1.622 1.627 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.683 -2.867 1.680 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.876 -3.704 1.074 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.596 0.793 0.900 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -6.621 1.129 -0.182 0.00 0.00 -0.010 C ATOM 26 C LIG 1 -7.144 2.591 -0.174 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -7.170 2.514 -1.714 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -6.079 1.430 -1.607 0.00 0.00 +0.003 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.548 0.190 -3.223 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.809 1.333 -3.175 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.663 -0.805 -3.517 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.358 0.305 -4.308 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.887 -0.285 -0.621 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.373 1.085 -0.792 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.884 1.681 -0.123 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.841 1.170 -0.703 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.206 2.682 -0.593 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.161 2.300 0.559 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.297 1.040 0.778 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.594 0.406 -1.777 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9