REMARK Name = BDB007109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 -1.354 -3.176 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.897 -0.470 -2.068 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.347 -0.398 -0.751 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.084 0.546 -0.033 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.802 0.839 1.313 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.255 0.166 1.932 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.020 -0.768 1.233 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.054 1.040 -0.890 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.717 -1.067 -0.104 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.942 0.441 -2.131 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.847 0.760 -3.273 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.136 -1.445 1.949 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.199 -1.851 1.167 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.280 -1.447 0.245 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.090 -1.587 3.166 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.432 -2.341 1.764 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.947 -3.546 0.973 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.428 -1.198 1.873 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.282 -0.832 0.818 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.177 0.250 0.919 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.197 0.964 2.127 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.347 0.631 3.181 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.463 -0.438 3.051 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 8.102 0.610 -0.219 0.00 0.00 +0.019 C ATOM 25 C LIG 1 8.110 2.016 -0.773 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.538 0.900 -1.591 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.018 2.085 -0.538 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.416 1.556 -0.322 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.672 0.489 0.548 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.978 0.037 0.752 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -7.054 0.643 0.103 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -6.812 1.715 -0.754 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.504 2.170 -0.961 0.00 0.00 +0.009 A BRANCH 31 34 ATOM 34 O LIG 1 -8.274 0.102 0.394 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 -9.405 0.667 -0.256 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 -10.671 -0.055 0.166 0.00 0.00 +0.343 C ATOM 37 O LIG 1 -10.788 -0.989 0.942 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -11.769 0.459 -0.435 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -12.501 -0.090 -0.080 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10