REMARK Name = BDB049766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.113 0.430 -1.379 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.364 0.628 -1.973 0.00 0.00 +0.049 A ATOM 3 C LIG 1 2.122 -0.449 -2.466 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.589 -1.739 -2.364 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.340 -1.944 -1.777 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.397 -0.864 -1.286 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.498 1.576 -0.953 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -1.731 1.467 -0.238 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -2.917 1.463 -1.200 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -5.279 3.783 -0.584 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -5.156 2.355 -0.249 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -4.212 1.378 -0.483 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.631 0.191 0.074 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.801 0.478 0.615 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -6.180 1.786 0.453 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.719 -0.391 1.347 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.387 -1.740 1.543 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -7.245 -2.596 2.239 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.447 -2.112 2.748 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.793 -0.776 2.563 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.935 0.080 1.866 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 3.468 -0.217 -3.112 0.00 0.00 +0.095 C BRANCH 22 23 ATOM 23 C LIG 1 4.411 0.130 -2.013 0.00 0.00 +0.102 A ATOM 24 C LIG 1 5.266 -0.649 -1.238 0.00 0.00 +0.174 A ATOM 25 N LIG 1 5.814 0.266 -0.345 0.00 0.00 -0.206 N ATOM 26 N LIG 1 5.520 1.525 -0.764 0.00 0.00 -0.060 NA ATOM 27 N LIG 1 4.614 1.450 -1.719 0.00 0.00 -0.133 NA BRANCH 25 28 ATOM 28 C LIG 1 6.534 0.096 0.873 0.00 0.00 +0.068 A ATOM 29 C LIG 1 7.263 1.182 1.391 0.00 0.00 +0.028 A ATOM 30 C LIG 1 7.965 1.059 2.592 0.00 0.00 +0.002 A ATOM 31 C LIG 1 7.935 -0.141 3.297 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.194 -1.214 2.807 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.489 -1.097 1.604 0.00 0.00 +0.028 A ENDBRANCH 25 28 BRANCH 24 34 ATOM 34 C LIG 1 5.607 -2.030 -1.343 0.00 0.00 +0.357 C ATOM 35 O LIG 1 6.588 -2.608 -0.905 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 4.708 -2.729 -2.064 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 5.081 -3.636 -2.063 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10