REMARK Name = BDB039934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.153 -1.015 -0.698 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.112 -1.514 -1.027 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.460 -2.591 -1.476 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.082 -0.452 -0.730 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.457 -0.469 -0.884 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.172 0.681 -0.524 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.474 1.810 -0.027 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.074 1.810 0.125 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.395 0.651 -0.239 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.068 0.348 -0.191 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.853 -1.709 -0.555 0.00 0.00 -0.036 A ATOM 12 C LIG 1 2.598 -1.074 -0.448 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.394 -1.699 -0.823 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.471 -3.003 -1.321 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.700 -3.655 -1.445 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.877 -3.012 -1.068 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.142 -0.989 -0.150 0.00 0.00 +0.034 C ATOM 18 C LIG 1 5.253 -0.519 1.299 0.00 0.00 +0.016 C ATOM 19 C LIG 1 6.055 -1.700 0.849 0.00 0.00 +0.016 C BRANCH 17 20 ATOM 20 C LIG 1 5.721 -0.103 -1.265 0.00 0.00 +0.244 C ATOM 21 F LIG 1 4.863 0.956 -1.414 0.00 0.00 -0.236 F BRANCH 20 24 ATOM 22 C LIG 1 6.644 2.796 -0.519 0.00 0.00 +0.151 C ATOM 23 N LIG 1 7.495 1.667 -0.787 0.00 0.00 -0.318 N ATOM 24 C LIG 1 7.126 0.388 -1.120 0.00 0.00 +0.168 A ATOM 25 N LIG 1 8.224 -0.322 -1.309 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 9.309 0.487 -1.078 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.856 1.679 -0.770 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.335 3.006 0.661 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -2.134 4.064 0.962 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.645 2.717 1.799 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.408 3.473 -0.221 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -5.682 0.723 -0.674 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -6.351 1.002 0.609 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 -6.459 -0.234 1.418 0.00 0.00 +0.120 C ATOM 35 C LIG 1 -7.924 -0.427 0.949 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -8.925 -0.634 2.076 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -7.816 1.027 0.422 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 O LIG 1 -8.124 -1.450 -0.061 0.00 0.00 -0.386 OA ATOM 39 H LIG 1 -9.026 -1.306 -0.395 0.00 0.00 +0.210 HD ENDBRANCH 35 38 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8