REMARK Name = BDB000463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.371 -1.808 1.399 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -6.189 0.817 0.064 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -4.993 -0.009 0.461 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.809 0.606 0.036 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.563 0.062 0.321 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.505 -1.131 1.042 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -3.696 -1.746 1.467 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.096 1.885 -0.688 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -4.947 -1.186 1.187 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.572 1.689 -1.054 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -7.394 0.013 -0.406 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -8.793 1.374 -1.819 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -8.551 0.927 -0.710 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -9.290 1.240 0.377 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -8.990 0.820 1.205 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 -0.099 -1.233 1.095 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 0.357 -1.651 -0.302 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 1.680 -1.002 -0.692 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 2.682 -1.394 0.244 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 3.939 -0.889 0.061 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.346 -0.050 -0.975 0.00 0.00 +0.046 A ATOM 22 C LIG 1 5.672 0.396 -1.040 0.00 0.00 +0.012 A ATOM 23 C LIG 1 6.608 0.005 -0.074 0.00 0.00 -0.017 A ATOM 24 C LIG 1 6.194 -0.835 0.964 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.869 -1.278 1.028 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 7.984 0.483 -0.154 0.00 0.00 -0.011 A ATOM 27 C LIG 1 9.064 -0.359 0.039 0.00 0.00 +0.053 A ATOM 28 S LIG 1 10.566 0.447 -0.120 0.00 0.00 -0.104 S ATOM 29 C LIG 1 9.794 1.933 -0.459 0.00 0.00 +0.046 A ATOM 30 C LIG 1 8.421 1.815 -0.452 0.00 0.00 +0.016 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10