REMARK Name = BDB029328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.401 -0.637 0.554 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.824 0.146 1.585 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.452 0.460 1.601 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.675 -0.034 0.557 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.788 0.124 0.300 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.003 -0.617 -0.936 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.190 -1.182 -1.401 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.426 -1.869 -2.378 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.244 -0.804 -0.450 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.590 -1.122 -0.480 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.282 -0.714 -1.550 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.413 -0.124 -0.953 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.713 -0.179 -1.514 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.838 -0.887 -2.722 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.737 -1.479 -3.337 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.471 -1.391 -2.756 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.000 0.510 -0.761 0.00 0.00 +0.005 C ATOM 18 C LIG 1 7.092 1.153 -1.705 0.00 0.00 +0.030 C ATOM 19 C LIG 1 6.292 2.477 -1.636 0.00 0.00 +0.093 C ATOM 20 C LIG 1 5.746 1.994 -0.271 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 7.075 3.692 -1.620 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.688 4.677 -1.635 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 6.503 -0.521 0.275 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.769 -0.208 0.997 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.727 -1.131 1.335 0.00 0.00 -0.320 N ATOM 26 C LIG 1 8.717 -2.547 1.082 0.00 0.00 +0.151 C ATOM 27 C LIG 1 9.703 -0.446 1.990 0.00 0.00 +0.224 A ATOM 28 N LIG 1 9.371 0.820 2.067 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 8.152 0.967 1.454 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -0.844 1.298 2.691 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.187 0.658 3.312 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.321 2.460 2.214 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.717 1.648 3.674 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.883 -0.960 0.584 0.00 0.00 +0.119 C BRANCH 34 37 ATOM 35 C LIG 1 -8.099 -0.503 -0.141 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -7.115 -0.086 0.974 0.00 0.00 +0.090 C ATOM 37 N LIG 1 -5.738 0.242 0.578 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 -5.606 0.977 -0.697 0.00 0.00 +0.113 C ATOM 39 C LIG 1 -6.693 2.016 -0.995 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -7.789 1.415 -1.685 0.00 0.00 -0.378 OA ATOM 41 C LIG 1 -8.702 0.727 -0.840 0.00 0.00 +0.164 C BRANCH 35 43 ATOM 42 C LIG 1 -10.107 -0.773 1.479 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -9.216 -1.411 0.421 0.00 0.00 +0.003 C ENDBRANCH 35 43 ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 9