REMARK Name = BDB026100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.330 -0.458 0.209 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.093 -1.758 0.680 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.121 -2.568 0.976 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.196 -2.258 0.868 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.307 -1.458 0.594 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.095 -0.144 0.116 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.205 0.340 -0.073 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.639 -1.910 0.765 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.034 -2.950 -0.225 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.305 -4.332 0.438 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.547 -5.394 -0.642 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.325 -4.293 1.523 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.687 -4.619 1.109 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.315 -2.990 2.233 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.960 -2.255 2.171 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.318 0.973 -0.408 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.981 -0.274 -0.792 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 3.708 -0.697 -0.574 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.696 0.061 0.011 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.063 1.356 0.383 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.367 1.812 0.171 0.00 0.00 +0.044 A BRANCH 16 27 ATOM 22 C LIG 1 9.502 2.679 1.571 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.720 2.385 0.298 0.00 0.00 +0.132 C ATOM 24 O LIG 1 9.497 1.459 -0.486 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.817 1.154 -1.715 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.438 0.529 -1.454 0.00 0.00 +0.134 C ATOM 27 N LIG 1 6.626 1.450 -0.628 0.00 0.00 -0.311 N ATOM 28 C LIG 1 7.324 1.806 0.627 0.00 0.00 +0.137 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.261 0.603 -0.150 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.107 0.053 -0.007 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.362 1.919 -0.523 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.448 2.727 -0.650 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.777 2.370 -0.686 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -4.704 1.838 -1.674 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -5.954 2.336 -1.728 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -6.404 3.410 -0.802 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -7.560 3.811 -0.881 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.447 3.878 0.092 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.793 4.949 1.014 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.162 3.361 0.133 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -4.247 0.783 -2.633 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -4.111 -0.411 -1.998 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -3.039 1.078 -3.177 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6