REMARK Name = BDB006473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.748 1.624 3.798 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.211 0.711 2.717 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.634 0.571 1.417 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.375 -0.387 0.722 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.064 -0.749 -0.601 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.026 -0.132 -1.222 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.792 0.818 -0.543 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.383 -0.813 1.572 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.461 1.184 0.769 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.284 -0.166 2.789 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.225 -0.414 3.920 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.954 1.489 -1.188 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.645 0.738 -2.116 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.503 -0.262 -2.105 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.260 2.631 -0.867 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.904 1.203 -2.679 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -3.933 0.918 -4.182 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.061 0.590 -1.903 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.532 1.251 -0.755 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.574 0.716 0.005 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -7.174 -0.476 -0.385 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -6.683 -1.176 -1.483 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -5.638 -0.643 -2.244 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 O LIG 1 -8.150 -1.031 0.391 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -9.515 -0.684 0.063 0.00 0.00 +0.102 C ATOM 26 C LIG 1 -9.800 0.817 0.220 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -9.927 -1.172 -1.333 0.00 0.00 +0.055 C ATOM 28 C LIG 1 -10.359 -1.442 1.103 0.00 0.00 +0.055 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.379 -1.832 1.235 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 4.744 -1.255 0.933 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.913 -0.140 0.102 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.191 0.351 -0.185 0.00 0.00 +0.009 A ATOM 33 C LIG 1 7.338 -0.268 0.335 0.00 0.00 -0.017 A ATOM 34 C LIG 1 7.165 -1.389 1.160 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.888 -1.880 1.449 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 8.681 0.246 0.018 0.00 0.00 -0.004 A ATOM 37 C LIG 1 9.676 -0.522 -0.623 0.00 0.00 +0.067 A ATOM 38 C LIG 1 10.959 0.003 -0.848 0.00 0.00 +0.015 A ATOM 39 C LIG 1 11.261 1.308 -0.467 0.00 0.00 +0.001 A ATOM 40 C LIG 1 10.288 2.089 0.148 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.015 1.563 0.391 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 9.455 -1.912 -1.087 0.00 0.00 +0.337 C ATOM 43 O LIG 1 10.213 -2.826 -0.812 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 8.393 -2.043 -1.908 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 7.884 -1.220 -2.042 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10