REMARK Name = BDB035396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.813 0.319 0.276 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.349 -0.966 0.659 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.977 -1.258 0.780 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.081 -0.228 0.510 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.412 -0.226 0.552 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.766 1.134 0.165 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.377 1.900 -0.091 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.507 3.058 -0.443 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.537 1.029 0.133 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.881 1.332 0.008 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.116 1.579 0.099 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.181 0.685 0.336 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.545 1.063 0.294 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.796 2.421 0.016 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.766 3.327 -0.230 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.439 2.905 -0.193 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.767 0.037 0.555 0.00 0.00 +0.066 C ATOM 18 C LIG 1 5.487 -1.458 0.913 0.00 0.00 +0.095 C ATOM 19 C LIG 1 5.545 -1.056 2.400 0.00 0.00 +0.251 C ATOM 20 F LIG 1 4.349 -0.742 2.950 0.00 0.00 -0.206 F ATOM 21 F LIG 1 6.124 -1.956 3.224 0.00 0.00 -0.206 F ATOM 22 C LIG 1 6.422 0.137 1.977 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 6.819 0.137 -0.624 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.600 -0.083 -1.957 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.370 -0.450 -2.604 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.794 0.131 -2.573 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.696 0.459 -1.678 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 8.081 0.467 -0.449 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.489 -2.622 1.185 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.641 -3.156 0.262 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.786 -2.590 2.351 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.478 -3.537 1.363 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 -5.946 0.589 1.550 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -5.308 0.609 0.156 0.00 0.00 +0.081 C BRANCH 34 35 ATOM 35 N LIG 1 -5.919 -0.355 -0.778 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.337 -0.367 -1.617 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.317 0.002 -1.071 0.00 0.00 +0.054 C ATOM 38 C LIG 1 -7.747 -0.719 -2.372 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -8.197 -1.920 -1.517 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -8.257 -0.963 -0.310 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7