REMARK Name = BDB035348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.006 -0.995 1.585 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.243 -1.577 1.487 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -1.229 -1.417 0.541 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -2.339 -2.296 0.832 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -3.449 -2.286 0.082 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -3.547 -1.352 -1.079 0.00 0.00 +0.252 A ATOM 7 N LIG 1 -2.456 -0.505 -1.279 0.00 0.00 -0.309 N ATOM 8 O LIG 1 -4.564 -1.363 -1.765 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.013 -3.087 2.081 0.00 0.00 +0.008 C ATOM 10 C LIG 1 -3.156 -3.108 3.098 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -1.611 -4.523 1.710 0.00 0.00 +0.017 C ATOM 12 C LIG 1 -1.335 -0.540 -0.460 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -0.796 -2.313 2.632 0.00 0.00 +0.124 C ATOM 14 O LIG 1 1.518 -0.757 2.687 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.829 -0.756 0.291 0.00 0.00 +0.165 C BRANCH 15 17 ATOM 16 C LIG 1 2.006 1.635 -0.386 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.409 0.584 0.409 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.849 0.797 1.298 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 1.217 1.496 -1.321 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 2.607 3.002 0.008 0.00 0.00 +0.137 C ATOM 21 C LIG 1 1.831 3.562 1.197 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 3.484 3.674 -2.162 0.00 0.00 +0.101 C ATOM 23 N LIG 1 2.515 3.963 -1.110 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 1.574 3.903 -1.511 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 25 ATOM 25 C LIG 1 2.923 -1.853 0.058 0.00 0.00 -0.011 C ATOM 26 C LIG 1 3.991 -1.888 1.167 0.00 0.00 +0.013 C ATOM 27 C LIG 1 2.264 -3.244 -0.038 0.00 0.00 +0.013 C ATOM 28 C LIG 1 3.635 -1.575 -1.286 0.00 0.00 +0.013 C ENDBRANCH 15 25 ENDBRANCH 1 15 BRANCH 7 29 ATOM 29 C LIG 1 -2.498 0.483 -2.366 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 C LIG 1 -2.748 1.891 -1.872 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -1.843 2.943 -2.058 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -2.152 4.245 -1.659 0.00 0.00 +0.084 A ATOM 33 C LIG 1 -3.371 4.500 -1.045 0.00 0.00 +0.127 A ATOM 34 F LIG 1 -3.679 5.747 -0.663 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.285 3.480 -0.830 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -3.976 2.182 -1.244 0.00 0.00 +0.012 A BRANCH 31 37 ATOM 37 O LIG 1 -0.634 2.780 -2.670 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 -0.133 2.060 -2.226 0.00 0.00 +0.292 HD ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 8