REMARK Name = BDB049492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.238 -2.662 -2.026 0.00 0.00 +0.069 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.114 -2.353 -1.064 0.00 0.00 -0.045 A ATOM 3 C LIG 1 -0.298 -2.499 0.315 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.744 -2.211 1.201 0.00 0.00 +0.046 A ATOM 5 C LIG 1 1.983 -1.775 0.728 0.00 0.00 +0.121 A ATOM 6 C LIG 1 2.174 -1.631 -0.645 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.133 -1.921 -1.535 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 O LIG 1 2.911 -1.529 1.701 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.185 -1.046 1.278 0.00 0.00 +0.230 C BRANCH 9 10 ATOM 10 C LIG 1 5.060 -0.822 2.509 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 5.300 -2.124 3.275 0.00 0.00 +0.106 C BRANCH 11 12 ATOM 12 N LIG 1 6.273 -1.948 4.353 0.00 0.00 -0.329 N ATOM 13 H LIG 1 7.138 -1.515 4.033 0.00 0.00 +0.147 HD BRANCH 12 14 ATOM 14 C LIG 1 5.879 -1.177 5.441 0.00 0.00 +0.119 A ATOM 15 N LIG 1 6.715 -0.172 5.765 0.00 0.00 -0.241 NA ATOM 16 C LIG 1 6.386 0.600 6.824 0.00 0.00 +0.113 A ATOM 17 C LIG 1 5.250 0.417 7.591 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.402 -0.628 7.254 0.00 0.00 +0.005 A ATOM 19 C LIG 1 4.722 -1.438 6.167 0.00 0.00 +0.043 A ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 CA LIG 1 -1.742 -1.438 -2.800 0.00 0.00 +0.186 C BRANCH 20 22 ATOM 21 C LIG 1 -2.303 0.901 -2.247 0.00 0.00 +0.214 C ATOM 22 N LIG 1 -2.348 -0.438 -1.915 0.00 0.00 -0.302 N ATOM 23 H LIG 1 -3.151 -0.746 -1.380 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -1.621 1.337 -3.168 0.00 0.00 -0.276 OA BRANCH 21 25 ATOM 25 C LIG 1 -3.111 1.777 -1.305 0.00 0.00 +0.103 C BRANCH 25 27 ATOM 26 C LIG 1 -3.884 4.131 -0.831 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -3.475 3.136 -1.925 0.00 0.00 +0.025 C BRANCH 27 28 ATOM 28 C LIG 1 -4.560 2.984 -2.983 0.00 0.00 -0.044 A ATOM 29 C LIG 1 -5.895 2.706 -2.649 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.863 2.558 -3.645 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.510 2.678 -4.987 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.188 2.943 -5.335 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.220 3.093 -4.340 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 20 22 BRANCH 20 34 ATOM 34 C LIG 1 -2.814 -1.902 -3.781 0.00 0.00 +0.326 C ATOM 35 O LIG 1 -4.015 -1.964 -3.560 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 OXT LIG 1 -2.313 -2.322 -4.960 0.00 0.00 -0.479 OA ATOM 37 HXT LIG 1 -3.105 -2.549 -5.491 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 20 34 ENDBRANCH 1 20 TORSDOF 14