REMARK Name = BDB003289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 3.262 0.792 -0.053 0.00 0.00 -0.006 A ATOM 2 C UNK 1 2.561 -0.114 -0.864 0.00 0.00 +0.027 A ATOM 3 C UNK 1 1.208 0.147 -1.155 0.00 0.00 +0.033 A ATOM 4 C UNK 1 0.529 1.271 -0.649 0.00 0.00 +0.039 A ATOM 5 N UNK 1 -0.828 1.483 -0.999 0.00 0.00 -0.284 N ATOM 6 C UNK 1 -1.408 2.771 -0.581 0.00 0.00 +0.113 C ATOM 7 C UNK 1 -0.941 3.177 0.809 0.00 0.00 +0.024 C ATOM 8 C UNK 1 0.570 3.352 0.791 0.00 0.00 +0.038 C ATOM 9 C UNK 1 1.240 2.150 0.185 0.00 0.00 -0.025 A ATOM 10 C UNK 1 2.596 1.913 0.465 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C UNK 1 -1.795 0.440 -0.971 0.00 0.00 +0.134 A ATOM 12 C UNK 1 -2.744 0.320 -2.025 0.00 0.00 +0.022 A ATOM 13 C UNK 1 -3.702 -0.714 -1.932 0.00 0.00 -0.012 A ATOM 14 C UNK 1 -4.663 -0.875 -2.946 0.00 0.00 +0.009 A ATOM 15 C UNK 1 -4.680 -0.030 -4.055 0.00 0.00 +0.001 A ATOM 16 C UNK 1 -3.734 0.980 -4.171 0.00 0.00 +0.001 A ATOM 17 C UNK 1 -3.675 -1.577 -0.836 0.00 0.00 +0.041 A ATOM 18 C UNK 1 -2.699 -1.389 0.131 0.00 0.00 +0.128 A ATOM 19 C UNK 1 -2.775 1.151 -3.171 0.00 0.00 +0.012 A ATOM 20 N UNK 1 -1.774 -0.407 0.084 0.00 0.00 -0.226 NA BRANCH 18 21 ATOM 21 C UNK 1 -2.637 -2.291 1.324 0.00 0.00 +0.263 C ATOM 22 N UNK 1 -3.857 -2.610 1.903 0.00 0.00 -0.308 N ATOM 23 H UNK 1 -4.678 -2.078 1.645 0.00 0.00 +0.149 HD ATOM 24 O UNK 1 -1.569 -2.701 1.766 0.00 0.00 -0.269 OA BRANCH 22 25 ATOM 25 C UNK 1 -3.909 -3.390 3.123 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 C UNK 1 -3.523 -2.588 4.366 0.00 0.00 +0.174 C BRANCH 26 27 ATOM 27 O UNK 1 -3.621 -3.402 5.531 0.00 0.00 -0.393 OA ATOM 28 H UNK 1 -2.866 -4.017 5.505 0.00 0.00 +0.209 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 21 ENDBRANCH 5 11 BRANCH 1 33 ATOM 29 C UNK 1 8.186 0.334 -0.344 0.00 0.00 +0.172 C ATOM 30 N UNK 1 6.832 0.421 0.146 0.00 0.00 -0.274 N ATOM 31 N UNK 1 6.598 0.336 1.469 0.00 0.00 -0.179 NA ATOM 32 C UNK 1 5.271 0.459 1.562 0.00 0.00 +0.142 A ATOM 33 C UNK 1 4.654 0.605 0.301 0.00 0.00 +0.020 A ATOM 34 C UNK 1 5.700 0.594 -0.596 0.00 0.00 +0.116 A ENDBRANCH 1 33 BRANCH 2 35 ATOM 35 C UNK 1 3.205 -1.353 -1.431 0.00 0.00 +0.372 C ATOM 36 F UNK 1 2.307 -2.245 -1.945 0.00 0.00 -0.204 F ATOM 37 F UNK 1 4.055 -1.077 -2.462 0.00 0.00 -0.204 F ENDBRANCH 2 35 TORSDOF 7