REMARK Name = BDB024243 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.729 -0.985 -0.573 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.735 -2.500 -0.440 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.708 -3.115 0.822 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.683 -4.506 0.934 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.686 -5.298 -0.212 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.718 -4.702 -1.471 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.744 -3.311 -1.587 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.257 -1.071 -0.348 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.349 -2.019 -0.692 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.387 -0.318 -0.122 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.386 0.833 0.325 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.809 -0.312 0.300 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -3.253 -1.492 -0.207 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -1.932 -1.729 -0.418 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -1.074 -0.743 -0.100 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.504 0.468 0.414 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -2.876 0.676 0.613 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 -8.770 1.994 -0.021 0.00 0.00 +0.105 C ATOM 19 N LIG 1 -7.451 1.558 -0.471 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 -7.421 0.089 -0.646 0.00 0.00 +0.103 C ATOM 21 C LIG 1 -5.989 -0.489 -0.737 0.00 0.00 +0.120 C ATOM 22 N LIG 1 -5.188 -0.172 0.474 0.00 0.00 -0.326 N ATOM 23 C LIG 1 -5.744 0.911 1.308 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -6.376 2.019 0.437 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 3.837 -0.370 0.199 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 3.609 0.625 0.305 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 5.129 -0.501 -0.481 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 6.258 0.183 0.309 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 6.165 1.692 0.310 0.00 0.00 -0.046 A ATOM 30 C LIG 1 5.568 2.365 1.385 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.465 3.758 1.379 0.00 0.00 +0.020 A ATOM 32 C LIG 1 5.960 4.483 0.298 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 5.835 6.199 0.289 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 6.554 3.828 -0.778 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.655 2.434 -0.773 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8