REMARK Name = BDB035609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.750 -1.461 0.364 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.069 -0.240 0.412 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.416 0.888 0.115 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.278 -0.518 0.926 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.315 0.368 1.150 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.519 -0.145 1.650 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.636 -1.536 1.898 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.569 -2.424 1.664 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.385 -1.881 1.171 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.098 -2.554 0.821 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.226 -0.829 -0.946 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.901 -0.616 -0.511 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.087 -1.671 -0.074 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.636 -2.963 -0.082 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.945 -3.194 -0.515 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.735 -2.135 -0.947 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.106 0.325 -1.424 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -6.181 0.131 1.516 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.694 1.315 0.862 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.211 1.442 -0.418 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.896 2.711 -0.610 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.162 3.408 0.543 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.631 2.555 1.420 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.576 0.829 -2.784 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -4.639 -0.149 -3.997 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -5.984 0.490 -4.379 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.539 1.742 -3.602 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.696 -3.901 1.920 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.554 -4.634 0.782 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.736 -4.357 2.772 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.886 -4.270 2.463 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.699 0.770 1.902 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.753 0.518 0.918 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.331 0.550 -0.011 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.898 1.429 1.083 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.540 2.843 0.542 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.865 2.809 -0.248 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.797 1.268 -0.181 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.629 1.309 2.408 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8