REMARK Name = BDB024297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.462 -1.220 0.738 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.267 -2.184 -0.427 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.703 -3.519 -0.364 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.522 -4.381 -1.448 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.912 -3.921 -2.612 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.486 -2.598 -2.697 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.667 -1.734 -1.614 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.336 -1.804 2.474 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.482 -2.303 3.340 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.966 -1.847 2.074 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.756 -2.433 2.833 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.758 -0.067 0.771 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.470 0.052 0.243 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.334 -0.489 0.762 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.448 -1.215 1.878 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.675 -1.400 2.500 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.822 -0.824 1.941 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.245 1.969 -1.059 0.00 0.00 +0.137 C ATOM 19 C LIG 1 4.825 1.385 -0.970 0.00 0.00 +0.136 C ATOM 20 N LIG 1 4.865 0.508 0.203 0.00 0.00 -0.326 N ATOM 21 C LIG 1 6.238 0.287 0.645 0.00 0.00 +0.108 C ATOM 22 C LIG 1 7.092 0.834 -0.494 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 7.809 2.986 -2.525 0.00 0.00 +0.194 C ATOM 24 O LIG 1 6.577 2.287 -2.407 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.913 -0.890 0.850 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.364 -1.693 1.296 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.143 0.309 1.664 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.655 0.595 1.850 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.855 1.768 2.818 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.391 0.858 0.542 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.467 0.036 0.174 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.158 0.255 -1.021 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.781 1.302 -1.866 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.713 2.129 -1.509 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.024 1.908 -0.313 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.488 1.528 -3.092 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.063 1.716 -4.083 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10