REMARK Name = BDB026020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.802 -0.465 -0.371 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.102 0.716 -0.014 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.297 0.723 0.061 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.048 -0.434 -0.214 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.336 -1.588 -0.570 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.990 -2.730 -0.832 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.058 -1.611 -0.649 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.906 -2.609 2.307 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.285 -2.286 0.943 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.152 -2.693 -0.201 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.475 -2.067 -0.176 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.401 -2.423 -1.459 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.168 -2.838 -2.721 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.886 -0.962 -1.605 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.211 -0.428 -0.400 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.838 -0.800 0.893 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.520 -0.420 -0.131 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.329 -1.026 -1.089 0.00 0.00 +0.121 A ATOM 19 N LIG 1 4.688 -1.040 -1.076 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.326 -0.436 -0.053 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.600 0.212 0.945 0.00 0.00 +0.044 A ATOM 22 C LIG 1 3.203 0.216 0.908 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 6.735 -0.420 -0.012 0.00 0.00 -0.311 N ATOM 24 C LIG 1 7.351 -0.949 -1.251 0.00 0.00 +0.137 C ATOM 25 C LIG 1 8.887 -0.819 -1.161 0.00 0.00 +0.132 C ATOM 26 C LIG 1 9.559 -1.421 -2.387 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.395 -1.511 -0.002 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 8.813 -0.971 1.195 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.280 -1.089 1.188 0.00 0.00 +0.134 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.905 1.854 0.220 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.892 1.658 0.066 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.507 3.118 0.573 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.371 3.521 0.778 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.653 4.065 0.667 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.596 4.085 1.778 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.594 4.991 1.776 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.738 5.957 0.658 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.650 6.772 0.639 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.792 5.867 -0.333 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.878 6.538 -1.088 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.768 4.952 -0.334 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.408 3.113 2.900 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.158 3.143 3.418 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.648 1.839 2.494 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.262 3.345 3.932 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6