REMARK Name = BDB035814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.724 2.027 -0.553 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.098 0.775 -0.553 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.565 -0.350 -0.546 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.349 1.021 -0.536 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.384 0.104 -0.549 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.698 0.593 -0.537 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.923 1.990 -0.490 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.857 2.911 -0.471 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.565 2.394 -0.500 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.251 3.107 -0.483 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.443 1.421 -0.834 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.041 1.235 -0.825 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.123 2.271 -0.597 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.633 3.561 -0.410 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.008 3.791 -0.416 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.894 2.734 -0.615 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.442 -1.034 -2.564 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.566 0.451 -2.166 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.469 0.212 -1.067 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.025 -1.004 -1.946 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.081 -0.252 0.326 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.419 -0.763 1.411 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.012 -1.006 1.569 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.374 -1.010 2.350 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.552 -0.679 1.878 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.369 -0.199 0.604 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.357 -2.662 -4.358 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.514 -1.302 -3.980 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.095 4.396 -0.424 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.409 4.740 -0.346 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.602 5.031 -1.522 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.487 4.981 0.645 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.863 -0.372 -0.529 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.103 -0.858 0.825 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.322 -0.074 1.438 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.164 -1.872 0.902 0.00 0.00 +0.054 C ATOM 37 C LIG 1 7.551 -1.238 0.776 0.00 0.00 +0.024 C BRANCH 36 38 ATOM 38 C LIG 1 5.981 -2.640 2.220 0.00 0.00 +0.006 C ATOM 39 C LIG 1 6.996 -3.744 2.637 0.00 0.00 +0.005 C ATOM 40 C LIG 1 6.677 -3.375 4.102 0.00 0.00 +0.001 C ATOM 41 C LIG 1 6.292 -1.970 3.591 0.00 0.00 +0.005 C ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9