REMARK Name = BDB029311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.985 1.823 0.847 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.473 0.898 -0.070 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.023 0.041 -0.738 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.979 1.109 -0.126 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.919 0.443 -0.891 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.261 0.825 -0.761 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.604 1.875 0.128 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.634 2.542 0.900 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.312 2.134 0.752 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.077 2.638 1.425 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.741 1.368 0.949 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -3.370 1.237 0.615 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.349 1.991 1.213 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.721 2.920 2.190 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.058 3.070 2.562 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.048 2.300 1.954 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.879 0.445 0.220 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.773 0.387 -1.359 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.705 1.623 -1.405 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -7.273 1.143 -0.047 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.636 1.669 -2.509 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.367 1.720 -3.408 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.918 -0.895 0.984 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -4.939 -3.318 -0.710 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -6.301 -3.019 -0.358 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.764 -1.961 0.383 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -8.073 -2.067 0.487 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.471 -3.185 -0.204 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -7.397 -3.746 -0.705 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.003 3.647 1.852 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.670 3.347 3.138 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.351 4.808 1.565 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.328 3.951 1.864 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.336 0.139 -1.583 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.444 -0.384 -0.760 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 6.628 -0.597 -1.609 0.00 0.00 +0.124 C ATOM 37 C LIG 1 7.890 -1.218 -0.968 0.00 0.00 +0.121 C ATOM 38 F LIG 1 8.796 -1.363 -1.996 0.00 0.00 -0.241 F ATOM 39 C LIG 1 8.535 -0.276 0.047 0.00 0.00 +0.048 C ATOM 40 C LIG 1 7.700 -2.620 -0.363 0.00 0.00 +0.041 C ATOM 41 C LIG 1 6.567 -3.418 -1.004 0.00 0.00 +0.004 C ATOM 42 C LIG 1 5.154 -2.934 -0.642 0.00 0.00 +0.015 C ATOM 43 C LIG 1 5.043 -1.557 0.029 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8