REMARK Name = BDB006378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.065 -5.054 -0.216 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.478 -3.708 -0.708 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.383 -2.583 -0.906 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.400 -1.524 -1.370 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.151 -0.261 -1.654 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.523 -0.073 -1.454 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.324 -1.116 -0.988 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.698 -1.995 -1.470 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.768 -2.377 -0.727 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.764 -3.309 -1.041 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.041 -4.079 -0.984 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.784 -0.936 -0.780 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.178 0.298 -0.312 0.00 0.00 -0.308 N ATOM 14 H LIG 1 3.470 0.925 0.048 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.562 -1.855 -1.003 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.557 0.561 0.064 0.00 0.00 +0.152 C BRANCH 16 17 ATOM 17 C LIG 1 6.551 0.611 -1.115 0.00 0.00 +0.228 C ATOM 18 O LIG 1 7.883 0.836 -0.610 0.00 0.00 -0.480 OA ATOM 19 C LIG 1 8.179 2.166 -0.450 0.00 0.00 +0.163 A ATOM 20 C LIG 1 7.372 3.203 -0.935 0.00 0.00 +0.162 A ATOM 21 C LIG 1 7.720 4.531 -0.702 0.00 0.00 +0.049 A ATOM 22 C LIG 1 8.897 4.827 -0.014 0.00 0.00 +0.004 A ATOM 23 C LIG 1 9.716 3.796 0.451 0.00 0.00 +0.004 A ATOM 24 O LIG 1 6.212 2.978 -1.632 0.00 0.00 -0.485 OA ATOM 25 C LIG 1 9.354 2.464 0.236 0.00 0.00 +0.049 A ATOM 26 C LIG 1 6.193 1.654 -2.171 0.00 0.00 +0.275 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.816 -1.233 -2.032 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.754 -0.668 -0.993 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.288 0.001 0.146 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.183 0.569 1.057 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.567 0.491 0.853 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.034 -0.179 -0.287 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.139 -0.744 -1.200 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.506 1.116 1.796 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.338 0.381 2.663 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -8.276 1.026 3.484 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -8.377 2.416 3.473 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.545 3.161 2.643 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.623 2.518 1.812 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.288 -1.089 2.745 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.239 -1.839 2.641 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.053 -1.530 3.038 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -6.138 -2.508 3.069 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8