REMARK Name = BDB024924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.130 1.798 -1.694 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.821 1.725 -2.206 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.551 2.294 -3.543 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.876 1.278 -4.646 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.137 2.856 -3.658 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.115 1.779 -3.375 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.421 1.068 -2.089 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.376 0.383 -1.422 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.939 0.249 -1.798 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.521 -0.468 -0.857 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.616 -0.794 0.141 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.613 -0.283 -0.229 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.882 -0.331 0.341 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.918 0.335 -0.332 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.730 1.041 -1.533 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.519 1.402 -0.602 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.896 -1.599 1.328 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.242 -2.990 1.247 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.730 -3.905 2.383 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.973 -3.152 3.700 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.192 -1.845 3.777 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.592 -0.879 2.658 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.993 -4.636 1.976 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.748 -4.345 1.061 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.244 -5.699 2.765 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.080 -6.074 2.414 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.340 2.519 -2.100 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.997 2.398 -2.571 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.957 -0.901 -0.891 0.00 0.00 +0.131 C BRANCH 29 30 ATOM 30 C LIG 1 -3.889 0.044 -0.167 0.00 0.00 +0.067 A ATOM 31 N LIG 1 -3.577 0.386 1.117 0.00 0.00 -0.247 NA ATOM 32 C LIG 1 -4.499 1.200 1.694 0.00 0.00 +0.108 A ATOM 33 C LIG 1 -5.655 1.598 1.026 0.00 0.00 +0.157 A ATOM 34 N LIG 1 -6.369 2.396 1.875 0.00 0.00 -0.345 N ATOM 35 H LIG 1 -7.253 2.824 1.631 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 -5.690 2.535 3.064 0.00 0.00 +0.086 A ATOM 37 N LIG 1 -6.009 1.269 -0.234 0.00 0.00 -0.234 NA ATOM 38 C LIG 1 -4.523 1.794 2.978 0.00 0.00 +0.049 A ATOM 39 C LIG 1 -5.067 0.469 -0.798 0.00 0.00 +0.136 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6