REMARK Name = BDB024982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.866 -0.663 -0.531 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.844 -0.046 -1.275 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.316 0.979 -2.225 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.779 2.243 -1.480 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.298 1.316 -3.312 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.980 1.712 -2.683 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.505 0.611 -1.779 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.117 0.421 -1.582 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.075 1.162 -2.077 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.029 0.606 -1.616 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.732 -0.522 -0.868 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.645 -0.630 -0.808 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.517 -1.527 -0.197 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.894 -1.320 -0.377 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.421 -0.249 -1.117 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.052 -0.618 -0.854 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.707 -1.417 -0.238 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.748 -1.235 1.292 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.744 -2.191 1.961 0.00 0.00 +0.100 C ATOM 20 C LIG 1 2.562 -3.658 1.532 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.460 -3.864 0.496 0.00 0.00 +0.003 C ATOM 22 C LIG 1 1.574 -2.892 -0.676 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 4.163 -1.724 1.674 0.00 0.00 +0.308 C ATOM 24 O LIG 1 4.768 -1.960 0.638 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 4.697 -0.963 2.650 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 4.107 -0.759 3.400 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.515 -1.817 1.410 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.461 -1.253 0.629 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.405 1.154 -1.861 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 3.025 1.784 -0.631 0.00 0.00 -0.040 A ATOM 31 C LIG 1 2.359 2.804 0.063 0.00 0.00 +0.007 A ATOM 32 C LIG 1 2.917 3.354 1.218 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.152 2.910 1.693 0.00 0.00 +0.127 A ATOM 34 C LIG 1 4.825 1.903 1.001 0.00 0.00 +0.046 A ATOM 35 C LIG 1 4.271 1.354 -0.160 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 O LIG 1 4.573 3.516 2.842 0.00 0.00 -0.434 OA BRANCH 36 37 ATOM 37 C LIG 1 5.914 3.274 3.228 0.00 0.00 +0.541 C ATOM 38 F LIG 1 5.995 2.032 3.768 0.00 0.00 -0.166 F ATOM 39 F LIG 1 6.211 4.149 4.224 0.00 0.00 -0.166 F ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8