REMARK Name = BDB025258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.765 0.292 1.014 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.715 0.735 0.192 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.905 2.041 -0.475 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.952 1.950 -1.598 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.629 2.659 -1.068 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.437 2.386 -0.175 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.284 0.896 -0.080 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.022 0.269 -0.137 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.214 0.842 -0.268 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.095 -0.143 -0.249 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.438 -1.365 -0.165 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.916 -1.114 -0.050 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.041 -1.926 0.114 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.291 -1.295 0.186 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.432 0.097 0.108 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.861 0.847 1.073 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.083 -2.676 -0.155 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.994 -3.358 1.217 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.769 -4.679 1.226 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.290 -5.602 0.097 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.384 -4.924 -1.269 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.621 -3.600 -1.294 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.623 -5.354 2.578 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.915 -6.324 2.802 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.364 -4.766 3.545 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.884 -3.996 3.246 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.499 -1.185 2.689 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.454 -0.772 1.809 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.598 0.000 -0.311 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.142 1.416 -0.429 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -4.155 1.688 -1.369 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -4.713 2.979 -1.463 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.718 3.558 -2.285 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -5.845 4.880 -1.924 0.00 0.00 +0.086 A ATOM 35 N LIG 1 -4.954 5.126 -0.914 0.00 0.00 -0.350 N ATOM 36 C LIG 1 -4.775 6.407 -0.266 0.00 0.00 +0.149 C ATOM 37 C LIG 1 -4.251 3.980 -0.605 0.00 0.00 +0.049 A ATOM 38 C LIG 1 -3.251 3.738 0.346 0.00 0.00 +0.027 A ATOM 39 C LIG 1 -2.715 2.447 0.422 0.00 0.00 +0.008 A ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -3.125 -0.610 0.877 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -3.501 0.113 1.411 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 7