REMARK Name = BDB006524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.518 -0.069 1.758 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.425 -0.081 0.358 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.291 0.475 -0.277 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.099 0.617 -1.645 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.329 1.258 -1.661 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.704 1.484 -0.349 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.174 1.646 -2.826 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.672 0.169 -2.838 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.724 1.019 0.513 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.652 1.018 1.917 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.480 0.464 2.523 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 3.891 -0.615 1.781 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.964 -0.022 0.965 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 2.696 -0.640 2.468 0.00 0.00 +0.245 C ATOM 15 O LIG 1 2.582 -1.066 3.611 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.136 -1.039 2.402 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.205 -2.563 2.553 0.00 0.00 +0.033 C BRANCH 16 21 ATOM 18 C LIG 1 8.468 0.581 0.132 0.00 0.00 +0.121 A ATOM 19 C LIG 1 8.152 1.077 1.398 0.00 0.00 +0.046 A ATOM 20 C LIG 1 7.084 0.549 2.130 0.00 0.00 +0.009 A ATOM 21 C LIG 1 6.309 -0.493 1.605 0.00 0.00 -0.027 A ATOM 22 C LIG 1 6.621 -0.975 0.324 0.00 0.00 +0.009 A ATOM 23 C LIG 1 7.692 -0.444 -0.405 0.00 0.00 +0.046 A BRANCH 18 24 ATOM 24 O LIG 1 9.531 1.194 -0.467 0.00 0.00 -0.492 OA BRANCH 24 26 ATOM 25 C LIG 1 9.370 1.277 -2.884 0.00 0.00 +0.048 C ATOM 26 C LIG 1 10.047 0.647 -1.679 0.00 0.00 +0.225 C ENDBRANCH 24 26 ENDBRANCH 18 24 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -2.930 2.163 0.076 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.158 1.292 -0.035 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.220 0.035 0.582 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.378 -0.744 0.499 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.508 -0.283 -0.192 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.445 0.977 -0.803 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.288 1.758 -0.721 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.718 -1.111 -0.292 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.912 -0.838 0.406 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -10.042 -1.658 0.223 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.995 -2.748 -0.645 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.821 -3.032 -1.334 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.697 -2.223 -1.160 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -9.003 0.283 1.377 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.127 0.720 2.096 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -10.237 0.825 1.389 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -10.161 1.546 2.049 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 10