REMARK Name = BDB036006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.248 0.634 -0.562 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.538 1.513 0.514 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.528 2.032 1.346 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.220 1.645 1.074 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.051 2.021 1.767 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.070 1.278 1.037 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.512 0.558 -0.024 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.029 -0.133 -0.883 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.938 0.786 0.019 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.917 0.270 -0.811 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.445 1.327 1.397 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.396 0.502 0.776 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.764 0.556 1.102 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.174 1.472 2.082 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.246 2.285 2.726 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.893 2.210 2.389 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.828 -0.306 0.426 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 6.641 0.438 -0.598 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.185 1.143 -1.685 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.834 1.371 -2.122 0.00 0.00 +0.151 C ATOM 21 C LIG 1 7.293 1.631 -2.312 0.00 0.00 +0.224 A ATOM 22 N LIG 1 8.368 1.254 -1.666 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 7.962 0.506 -0.591 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 5.290 -1.627 -0.137 0.00 0.00 +0.004 C ATOM 25 C LIG 1 4.732 -2.661 0.887 0.00 0.00 +0.004 C ATOM 26 C LIG 1 5.344 -3.763 0.002 0.00 0.00 +0.001 C ATOM 27 C LIG 1 6.357 -2.708 -0.484 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.844 2.953 2.493 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.149 3.325 2.563 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.125 4.109 2.434 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.542 2.394 3.697 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 -4.857 1.250 -2.340 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -4.368 0.089 -1.454 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 N LIG 1 -5.442 -0.542 -0.646 0.00 0.00 -0.291 NA ATOM 35 C LIG 1 -6.623 -0.921 -1.460 0.00 0.00 +0.116 C ATOM 36 C LIG 1 -7.696 -1.651 -0.619 0.00 0.00 +0.129 C ATOM 37 C LIG 1 -8.866 -2.088 -1.491 0.00 0.00 +0.039 C ATOM 38 O LIG 1 -7.148 -2.827 -0.006 0.00 0.00 -0.374 OA ATOM 39 C LIG 1 -6.047 -2.470 0.835 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -4.943 -1.769 0.030 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7