REMARK Name = BDB006377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.719 -3.099 1.064 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.074 -2.167 0.097 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.587 -0.909 -0.346 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.330 -0.369 -1.249 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.111 0.870 -1.878 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.061 1.570 -1.576 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.986 1.060 -0.666 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.379 -1.268 -1.348 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.766 -0.185 -0.057 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.140 -2.367 -0.544 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.086 -3.516 -0.437 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.212 1.855 -0.386 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.743 1.728 0.883 0.00 0.00 -0.311 N ATOM 14 H LIG 1 3.210 1.237 1.589 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.686 2.587 -1.248 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.919 2.467 1.301 0.00 0.00 +0.111 C BRANCH 16 17 ATOM 17 C LIG 1 6.216 1.655 1.245 0.00 0.00 +0.048 C ATOM 18 C LIG 1 6.608 1.246 -0.176 0.00 0.00 +0.047 C ATOM 19 C LIG 1 7.775 0.297 -0.141 0.00 0.00 -0.005 A ATOM 20 C LIG 1 8.108 -0.389 1.032 0.00 0.00 +0.124 A ATOM 21 C LIG 1 9.199 -1.260 1.053 0.00 0.00 +0.046 A ATOM 22 C LIG 1 9.947 -1.474 -0.105 0.00 0.00 +0.004 A ATOM 23 C LIG 1 9.607 -0.813 -1.284 0.00 0.00 +0.000 A ATOM 24 O LIG 1 7.437 -0.239 2.216 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 8.525 0.068 -1.304 0.00 0.00 +0.007 A ATOM 26 C LIG 1 6.157 0.394 2.102 0.00 0.00 +0.234 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.539 -1.098 -2.226 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.796 -0.713 -1.481 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.991 -1.405 -1.724 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.173 -1.040 -1.072 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.194 0.035 -0.172 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.000 0.731 0.064 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.817 0.366 -0.586 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.433 0.411 0.522 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.206 1.539 0.178 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.357 1.862 0.920 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.750 1.070 1.999 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.001 -0.050 2.343 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.855 -0.375 1.613 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.856 2.389 -0.988 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -7.377 2.037 -2.048 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -8.136 3.686 -0.752 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.851 4.135 -1.576 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8