REMARK Name = BDB010144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.183 -0.595 0.933 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.168 -0.818 0.701 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.909 -1.575 1.592 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -2.194 -1.731 1.167 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.270 -1.096 0.021 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.420 -2.098 2.725 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 0.875 -1.806 2.906 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.096 -0.409 -0.233 0.00 0.00 -0.303 N ATOM 9 N LIG 1 1.681 -1.101 2.076 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.366 -1.017 -0.785 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -3.283 -1.635 -2.130 0.00 0.00 +0.148 C ATOM 12 C LIG 1 -3.758 -3.100 -2.192 0.00 0.00 +0.239 C ATOM 13 O LIG 1 -4.997 -3.317 -1.478 0.00 0.00 -0.365 OA ATOM 14 C LIG 1 -4.943 -2.824 -0.130 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -4.658 -1.317 -0.122 0.00 0.00 +0.136 C BRANCH 12 16 ATOM 16 C LIG 1 -2.634 -4.091 -1.875 0.00 0.00 +0.417 C ATOM 17 F LIG 1 -3.037 -5.366 -2.089 0.00 0.00 -0.168 F ATOM 18 F LIG 1 -2.171 -4.018 -0.616 0.00 0.00 -0.168 F ATOM 19 F LIG 1 -1.579 -3.873 -2.703 0.00 0.00 -0.168 F ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 2.001 0.080 0.024 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.872 -0.336 -0.894 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 3.610 1.361 1.368 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.423 0.205 0.380 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.229 0.514 -0.889 0.00 0.00 +0.009 C ATOM 25 C LIG 1 5.779 0.446 -0.777 0.00 0.00 +0.005 C ATOM 26 C LIG 1 5.786 -0.134 -2.205 0.00 0.00 +0.001 C ATOM 27 C LIG 1 4.355 -0.636 -1.930 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 1.495 -2.341 4.171 0.00 0.00 +0.375 C ATOM 29 O LIG 1 0.943 -2.988 5.046 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 2.811 -2.040 4.294 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 3.059 -2.445 5.150 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.936 0.681 -1.183 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -1.127 2.031 -0.531 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -2.410 2.478 -0.184 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -2.591 3.722 0.427 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.490 4.543 0.711 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.209 4.100 0.356 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.029 2.857 -0.257 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.685 5.894 1.353 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.628 6.281 2.120 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.858 6.882 0.431 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.775 5.950 2.168 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10