REMARK Name = BDB025923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.868 0.991 -0.076 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.804 -0.306 -0.639 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.419 -0.840 -1.052 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.604 -0.096 -0.920 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.524 1.186 -0.362 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.624 1.943 -0.232 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.310 1.729 0.055 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.168 5.109 -0.516 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.799 3.929 0.393 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.680 3.732 1.573 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.041 4.234 1.461 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.571 2.370 2.165 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.741 1.416 1.855 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.229 1.675 1.796 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.134 1.485 0.328 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.598 2.651 -0.471 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.893 -0.680 -1.353 0.00 0.00 -0.024 C ATOM 18 C LIG 1 4.015 -0.707 -0.337 0.00 0.00 +0.146 C ATOM 19 N LIG 1 5.261 -1.247 -0.883 0.00 0.00 -0.263 N ATOM 20 C LIG 1 6.443 -1.159 -0.164 0.00 0.00 +0.404 C ATOM 21 O LIG 1 7.469 -1.755 -0.467 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 5.161 -2.256 -1.929 0.00 0.00 +0.115 C ATOM 23 C LIG 1 4.289 -1.784 -3.090 0.00 0.00 +0.046 C ATOM 24 C LIG 1 3.021 -1.145 -2.611 0.00 0.00 -0.020 C BRANCH 20 25 ATOM 25 O LIG 1 6.326 -0.343 0.916 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 7.449 -0.100 1.801 0.00 0.00 +0.107 C ATOM 27 C LIG 1 8.603 0.588 1.064 0.00 0.00 +0.055 C ATOM 28 C LIG 1 7.898 -1.388 2.499 0.00 0.00 +0.055 C ATOM 29 C LIG 1 6.901 0.868 2.862 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.041 -0.975 -0.744 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.808 -0.396 -0.405 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.289 -2.237 -1.216 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.477 -3.065 -1.606 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.739 -2.586 -1.167 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.753 -1.956 -1.996 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -6.034 -2.351 -1.869 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.428 -3.409 -0.901 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.613 -3.711 -0.804 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.389 -3.976 -0.169 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -5.685 -5.036 0.783 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.074 -3.564 -0.312 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -4.341 -0.915 -2.990 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.967 0.235 -2.374 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.307 -1.313 -3.768 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.353 -0.579 -3.833 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7