REMARK Name = BDB006468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.237 -1.094 -0.944 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.946 0.193 -0.467 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.602 0.578 -0.257 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.015 1.781 0.208 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.386 1.568 0.212 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.615 0.287 -0.256 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.486 2.491 0.615 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.679 3.033 0.621 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.413 -0.338 -0.542 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.134 -1.622 -1.042 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.202 -1.981 -1.241 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.595 -1.003 -0.349 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.332 -0.379 0.400 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.636 -1.543 -1.177 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -3.882 -2.371 -2.047 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -6.012 -1.318 -0.490 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -6.697 -1.232 0.871 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -7.862 -0.491 1.116 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -8.447 -0.467 2.386 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.885 -1.192 3.433 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.740 -1.950 3.210 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.157 -1.973 1.942 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -6.372 1.000 -1.590 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -6.628 -0.504 -1.651 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 2.934 -0.344 -0.379 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.722 0.119 -1.592 0.00 0.00 -0.020 A ATOM 27 C LIG 1 5.122 0.322 -1.520 0.00 0.00 -0.013 A ATOM 28 C LIG 1 5.815 0.729 -2.677 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.152 0.916 -3.889 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.784 0.694 -3.967 0.00 0.00 +0.000 A ATOM 31 C LIG 1 3.077 0.292 -2.833 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 5.889 0.118 -0.283 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.263 -1.172 0.124 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.988 -1.368 1.304 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.353 -0.271 2.092 0.00 0.00 +0.059 A ATOM 36 C LIG 1 6.990 1.020 1.692 0.00 0.00 +0.015 A ATOM 37 C LIG 1 6.266 1.211 0.511 0.00 0.00 +0.009 A BRANCH 35 38 ATOM 38 C LIG 1 8.121 -0.426 3.351 0.00 0.00 +0.337 C ATOM 39 O LIG 1 8.478 0.478 4.083 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 8.405 -1.709 3.636 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 8.905 -1.657 4.477 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9