REMARK Name = BDB028047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.449 0.885 0.393 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.657 1.644 0.791 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.785 2.834 1.008 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.786 0.715 0.929 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.089 0.990 1.303 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.994 -0.077 1.363 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.549 -1.387 1.052 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.219 -1.649 0.670 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.347 -0.566 0.616 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.102 -0.522 0.253 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.115 0.916 -0.537 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.787 0.496 -0.276 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.766 1.369 0.151 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.099 2.713 0.329 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.398 3.164 0.097 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.385 2.278 -0.327 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.244 -0.106 -1.041 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.199 0.360 -2.180 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.070 -0.933 -2.837 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.816 -1.138 -2.128 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.942 -0.817 0.137 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -9.024 -1.278 0.107 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -8.329 -0.210 0.775 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.976 0.020 0.812 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.761 1.096 1.542 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.973 1.582 1.966 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.905 0.785 1.502 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.750 -3.038 0.335 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.748 -3.455 1.157 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.247 -3.119 -0.928 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.723 -3.985 0.415 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.432 0.163 1.777 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.405 -0.313 0.771 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 6.386 0.539 -0.438 0.00 0.00 +0.109 C ATOM 35 C LIG 1 7.346 0.003 -1.503 0.00 0.00 +0.174 C ATOM 36 C LIG 1 8.738 -0.104 -0.916 0.00 0.00 +0.267 C ATOM 37 F LIG 1 9.241 1.132 -0.652 0.00 0.00 -0.204 F ATOM 38 F LIG 1 9.584 -0.683 -1.807 0.00 0.00 -0.204 F ATOM 39 C LIG 1 8.758 -0.910 0.367 0.00 0.00 +0.092 C ATOM 40 C LIG 1 7.753 -0.345 1.362 0.00 0.00 +0.090 C BRANCH 35 41 ATOM 41 C LIG 1 7.346 0.883 -2.675 0.00 0.00 +0.073 C ATOM 42 N LIG 1 7.303 1.576 -3.605 0.00 0.00 -0.196 NA ENDBRANCH 35 41 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8