REMARK Name = BDB028062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.603 -0.938 -1.185 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.232 -1.715 -0.059 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.934 -1.661 0.485 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.020 -0.811 -0.131 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.409 -0.537 0.209 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.818 0.441 -0.793 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.232 0.742 -1.666 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.294 1.493 -2.622 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.389 -0.054 -1.236 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.658 -0.095 -1.784 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.131 0.987 -0.826 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.099 0.582 0.110 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.414 1.094 0.117 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -4.747 2.041 -0.860 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.806 2.461 -1.796 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.511 1.937 -1.777 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.440 0.601 1.137 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -6.218 1.649 1.937 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -5.136 0.867 2.610 0.00 0.00 +0.016 C BRANCH 17 20 ATOM 20 C LIG 1 -6.054 -0.762 0.783 0.00 0.00 +0.244 C ATOM 21 F LIG 1 -5.215 -1.724 1.279 0.00 0.00 -0.236 F BRANCH 20 22 ATOM 22 C LIG 1 -7.458 -1.017 1.231 0.00 0.00 +0.168 A ATOM 23 N LIG 1 -8.574 -0.794 0.463 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -8.628 -0.292 -0.884 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.643 -1.127 1.234 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -9.226 -1.526 2.411 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.853 -1.459 2.411 0.00 0.00 -0.132 NA ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.545 -2.480 1.686 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.162 -1.701 2.735 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.488 -3.298 1.427 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.538 -3.283 2.153 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.013 -1.025 -1.736 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 7.269 0.539 1.774 0.00 0.00 +0.015 C ATOM 34 C LIG 1 7.145 1.266 0.432 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.390 1.131 -0.442 0.00 0.00 +0.254 C ATOM 36 F LIG 1 9.474 0.829 0.319 0.00 0.00 -0.205 F ATOM 37 F LIG 1 8.665 2.350 -0.995 0.00 0.00 -0.205 F ATOM 38 C LIG 1 8.272 0.140 -1.586 0.00 0.00 +0.091 C ATOM 39 C LIG 1 7.389 -1.033 -1.196 0.00 0.00 +0.090 C ATOM 40 N LIG 1 6.041 -0.638 -0.755 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 5.931 0.780 -0.368 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7