REMARK Name = BDB021234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.310 1.970 -3.166 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.089 1.767 -2.576 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.356 1.316 -1.363 0.00 0.00 +0.151 A ATOM 4 N LIG 1 1.719 1.230 -1.151 0.00 0.00 -0.270 N ATOM 5 C LIG 1 2.282 0.776 0.060 0.00 0.00 +0.202 A ATOM 6 N LIG 1 1.492 0.396 1.027 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.131 0.469 0.826 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -0.490 0.918 -0.287 0.00 0.00 +0.043 A ATOM 9 C LIG 1 2.337 1.641 -2.311 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.972 0.927 -0.331 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -2.731 1.489 0.706 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.129 1.494 0.649 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.802 0.941 -0.448 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -4.045 0.396 -1.493 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.648 0.391 -1.436 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 -6.315 0.952 -0.513 0.00 0.00 +0.119 C BRANCH 16 17 ATOM 17 N LIG 1 -7.018 -0.198 0.048 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -6.763 -1.480 -0.596 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -7.483 -2.457 0.324 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.533 -1.764 1.684 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -6.838 -0.425 1.476 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 1.562 2.841 -5.595 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 1.426 2.453 -4.508 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 3.655 0.743 0.180 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.185 1.370 -0.414 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.287 0.518 1.468 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 5.755 0.277 1.266 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.245 -0.906 0.720 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.519 -2.091 0.202 0.00 0.00 +0.080 C ATOM 30 C LIG 1 6.694 -3.059 0.063 0.00 0.00 +0.234 C ATOM 31 O LIG 1 7.920 -2.299 -0.051 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 7.606 -1.090 0.513 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.537 -0.122 0.831 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.071 1.069 1.387 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.698 1.258 1.597 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.287 2.425 2.114 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 7