REMARK Name = BDB056814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 -1.893 0.285 -0.197 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C UNK 1 -0.412 0.606 0.213 0.00 0.00 +0.043 C ATOM 3 C UNK 1 0.461 1.138 -0.939 0.00 0.00 +0.114 C ATOM 4 N UNK 1 1.878 1.096 -0.551 0.00 0.00 -0.301 N ATOM 5 C UNK 1 2.809 0.589 -1.454 0.00 0.00 +0.216 C ATOM 6 O UNK 1 2.498 0.240 -2.594 0.00 0.00 -0.276 OA ATOM 7 C UNK 1 2.199 1.479 0.825 0.00 0.00 +0.108 C ATOM 8 C UNK 1 1.076 2.269 1.488 0.00 0.00 +0.019 C ATOM 9 C UNK 1 -0.268 1.532 1.444 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C UNK 1 4.242 0.473 -0.952 0.00 0.00 +0.098 C BRANCH 10 11 ATOM 11 C UNK 1 5.178 -0.128 -2.005 0.00 0.00 +0.039 C BRANCH 11 12 ATOM 12 C UNK 1 6.579 -0.451 -1.472 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N UNK 1 7.209 0.740 -0.859 0.00 0.00 -0.318 NA ATOM 14 H UNK 1 6.869 0.851 0.094 0.00 0.00 +0.119 HD ATOM 15 H UNK 1 8.213 0.546 -0.779 0.00 0.00 +0.119 HD ENDBRANCH 12 13 BRANCH 12 16 ATOM 16 C UNK 1 7.472 -0.987 -2.607 0.00 0.00 +0.322 C ATOM 17 O UNK 1 7.116 -1.486 -3.659 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK 1 8.794 -0.902 -2.314 0.00 0.00 -0.480 OA ATOM 19 H UNK 1 9.222 -1.238 -3.130 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 21 ATOM 20 C UNK 1 -2.483 -1.745 1.366 0.00 0.00 +0.023 A ATOM 21 C UNK 1 -2.639 -0.375 0.996 0.00 0.00 -0.005 A ATOM 22 C UNK 1 -3.480 0.425 1.814 0.00 0.00 +0.007 A ATOM 23 C UNK 1 -4.168 -0.088 2.916 0.00 0.00 +0.003 A ATOM 24 C UNK 1 -4.028 -1.423 3.249 0.00 0.00 +0.039 A ATOM 25 C UNK 1 -3.195 -2.229 2.485 0.00 0.00 +0.131 A ATOM 26 F UNK 1 -3.063 -3.514 2.856 0.00 0.00 -0.205 F BRANCH 20 29 ATOM 27 C UNK 1 0.558 -3.835 0.466 0.00 0.00 -0.047 A ATOM 28 C UNK 1 -0.292 -2.931 1.123 0.00 0.00 +0.012 A ATOM 29 C UNK 1 -1.605 -2.704 0.673 0.00 0.00 -0.015 A ATOM 30 C UNK 1 -2.071 -3.445 -0.424 0.00 0.00 +0.008 A ATOM 31 C UNK 1 -1.238 -4.353 -1.079 0.00 0.00 +0.001 A ATOM 32 C UNK 1 0.072 -4.545 -0.638 0.00 0.00 +0.003 A BRANCH 27 34 ATOM 33 C UNK 1 2.011 -5.100 2.073 0.00 0.00 +0.009 C ATOM 34 C UNK 1 1.963 -4.060 0.964 0.00 0.00 +0.032 C ENDBRANCH 27 34 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 1 35 ATOM 35 O UNK 1 -1.903 -0.631 -1.301 0.00 0.00 -0.384 OA ATOM 36 H UNK 1 -1.058 -1.126 -1.316 0.00 0.00 +0.211 HD ENDBRANCH 1 35 BRANCH 1 37 ATOM 37 C UNK 1 -2.598 1.549 -0.785 0.00 0.00 +0.041 C BRANCH 37 38 ATOM 38 C UNK 1 -3.981 1.272 -1.411 0.00 0.00 +0.022 C BRANCH 38 39 ATOM 39 C UNK 1 -4.688 2.553 -1.853 0.00 0.00 +0.107 C BRANCH 39 40 ATOM 40 N UNK 1 -5.291 3.254 -0.742 0.00 0.00 -0.281 N ATOM 41 H UNK 1 -6.191 2.961 -0.389 0.00 0.00 +0.152 HD ATOM 42 C UNK 1 -4.712 4.302 -0.098 0.00 0.00 +0.400 C ATOM 43 O UNK 1 -3.622 4.787 -0.362 0.00 0.00 -0.226 OA BRANCH 42 44 ATOM 44 O UNK 1 -5.536 4.713 0.896 0.00 0.00 -0.454 OA ATOM 45 C UNK 1 -5.042 5.825 1.645 0.00 0.00 +0.282 C ENDBRANCH 42 44 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 16