REMARK Name = BDB035551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.214 -0.354 0.392 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.028 -0.507 1.019 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.320 -0.738 2.177 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.053 -0.349 -0.021 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.429 -0.408 0.105 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.205 -0.227 -1.049 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.567 0.024 -2.287 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.163 0.079 -2.399 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.422 -0.113 -1.236 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.059 -0.105 -1.035 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -2.893 -0.508 3.007 0.00 0.00 +0.122 A ATOM 12 C LIG 1 -4.034 -0.385 2.214 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -3.965 -0.289 0.807 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -2.666 -0.282 0.252 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.492 -0.389 1.020 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -1.634 -0.516 2.403 0.00 0.00 +0.069 A BRANCH 13 17 ATOM 17 C LIG 1 -5.312 -0.171 -0.086 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.897 1.278 -0.209 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.247 1.382 -1.605 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -5.233 -0.159 -1.649 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -6.378 -1.238 0.402 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.246 -2.600 0.396 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.122 -3.376 -0.049 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.399 -3.090 0.928 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.194 -2.095 1.244 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.548 -0.925 0.918 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -3.943 2.001 -1.685 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -3.925 3.421 -1.609 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -4.131 -0.595 5.040 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -2.877 -0.626 4.370 0.00 0.00 -0.495 OA ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 31 ATOM 31 C LIG 1 1.484 0.351 -3.714 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.820 1.539 -3.715 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.553 -0.595 -4.019 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.337 0.393 -4.773 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.718 -0.260 -0.955 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.211 1.020 -0.458 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.812 1.767 -1.025 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.661 1.173 -0.237 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.495 0.765 -1.471 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.833 -0.571 -0.778 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.284 -0.003 0.547 0.00 0.00 +0.022 C ATOM 42 C LIG 1 7.964 2.551 0.330 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9