REMARK Name = BDB028129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 0.883 -3.259 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.084 1.633 -2.021 0.00 0.00 -0.043 A ATOM 3 C LIG 1 -2.137 1.237 -1.166 0.00 0.00 -0.036 A ATOM 4 C LIG 1 -3.023 -0.011 -1.373 0.00 0.00 +0.063 C ATOM 5 C LIG 1 -2.183 -1.295 -1.296 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.556 -1.605 -0.074 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.716 -2.719 0.061 0.00 0.00 -0.027 A ATOM 8 C LIG 1 -0.052 -2.985 1.393 0.00 0.00 +0.143 C ATOM 9 N LIG 1 1.080 -3.897 1.252 0.00 0.00 -0.293 N ATOM 10 C LIG 1 2.422 -3.529 1.324 0.00 0.00 +0.253 C ATOM 11 C LIG 1 2.789 -2.208 1.841 0.00 0.00 +0.113 A ATOM 12 C LIG 1 2.497 -1.844 3.150 0.00 0.00 +0.174 A ATOM 13 F LIG 1 1.830 -2.678 3.961 0.00 0.00 -0.202 F ATOM 14 C LIG 1 2.869 -0.586 3.621 0.00 0.00 +0.165 A ATOM 15 F LIG 1 2.538 -0.239 4.874 0.00 0.00 -0.202 F ATOM 16 C LIG 1 3.566 0.320 2.813 0.00 0.00 +0.029 A ATOM 17 C LIG 1 3.939 1.684 3.336 0.00 0.00 +0.041 C ATOM 18 C LIG 1 2.955 2.780 2.898 0.00 0.00 +0.005 C ATOM 19 C LIG 1 3.387 3.509 1.617 0.00 0.00 +0.004 C ATOM 20 C LIG 1 2.316 3.542 0.528 0.00 0.00 +0.041 C ATOM 21 C LIG 1 1.076 4.357 0.906 0.00 0.00 +0.229 C ATOM 22 O LIG 1 0.233 4.558 -0.240 0.00 0.00 -0.492 OA ATOM 23 C LIG 1 -0.558 3.476 -0.508 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -1.618 3.128 0.312 0.00 0.00 +0.046 A ATOM 25 C LIG 1 3.878 -0.080 1.511 0.00 0.00 +0.165 A ATOM 26 F LIG 1 4.556 0.749 0.706 0.00 0.00 -0.202 F ATOM 27 C LIG 1 3.494 -1.330 1.025 0.00 0.00 +0.174 A ATOM 28 F LIG 1 3.789 -1.654 -0.242 0.00 0.00 -0.202 F ATOM 29 O LIG 1 3.346 -4.258 0.969 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 0.747 -5.116 0.523 0.00 0.00 +0.113 C ATOM 31 C LIG 1 0.405 -4.771 -0.931 0.00 0.00 +0.054 C ATOM 32 C LIG 1 -0.529 -3.582 -1.033 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -1.154 -3.288 -2.249 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -1.967 -2.156 -2.380 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.394 2.016 -0.011 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -0.311 2.759 -1.675 0.00 0.00 +0.049 A ENDROOT BRANCH 4 37 ATOM 37 C LIG 1 -4.025 0.110 -2.553 0.00 0.00 +0.106 C ATOM 38 C LIG 1 -5.143 -0.940 -2.495 0.00 0.00 +0.020 C BRANCH 37 39 ATOM 39 C LIG 1 -4.679 1.472 -2.594 0.00 0.00 +0.308 C ATOM 40 O LIG 1 -4.663 2.241 -3.542 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -5.359 1.789 -1.475 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 -5.702 2.688 -1.665 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 37 39 ENDBRANCH 4 37 TORSDOF 3