REMARK Name = BDB048097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.038 -1.251 0.080 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -1.521 -2.699 0.151 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.093 -0.424 -0.441 0.00 0.00 -0.488 OA BRANCH 3 7 ATOM 4 C LIG 1 -4.556 1.220 2.509 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -5.053 0.242 1.636 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -4.239 -0.291 0.627 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -2.901 0.104 0.529 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -2.407 1.096 1.380 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.228 1.645 2.368 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -5.338 0.970 4.878 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -5.431 1.786 3.598 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -4.833 -1.314 -0.262 0.00 0.00 +0.197 C ATOM 13 O LIG 1 -5.458 -2.240 0.252 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 -4.714 -1.234 -1.743 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -4.845 -2.415 -2.485 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.752 -2.385 -3.877 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.537 -1.174 -4.535 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.422 0.008 -3.803 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.516 -0.018 -2.409 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.157 -1.144 -0.873 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 C LIG 1 0.686 0.286 -0.969 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 1.841 0.335 -1.808 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.074 0.211 -1.232 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.144 0.498 -2.085 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.479 0.417 -1.649 0.00 0.00 -0.044 A ATOM 26 C LIG 1 6.578 0.725 -2.628 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.742 0.022 -0.323 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.660 -0.276 0.523 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.340 -0.183 0.074 0.00 0.00 +0.046 A BRANCH 27 30 ATOM 30 C LIG 1 7.147 -0.079 0.233 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 7.667 1.242 0.794 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 6.994 1.655 2.072 0.00 0.00 +0.305 C ATOM 33 O LIG 1 6.514 2.751 2.311 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 7.025 0.706 3.027 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 6.604 1.141 3.798 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13