REMARK Name = BDB037382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.575 0.965 0.875 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.285 0.697 0.359 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.928 1.546 0.221 0.00 0.00 +0.083 C ATOM 4 C LIG 1 2.148 0.636 -0.041 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.827 -0.431 -1.123 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.650 -1.191 -0.924 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.598 -0.639 -2.063 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.334 -0.605 -0.105 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.549 -1.117 0.346 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.368 -0.107 0.741 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.639 2.588 -0.855 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.198 2.263 -2.152 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.028 3.263 -3.102 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.190 4.591 -2.769 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.031 5.547 -3.681 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.636 4.942 -1.503 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.863 3.946 -0.552 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -1.961 -2.459 0.566 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.330 -2.753 0.662 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.751 -4.063 0.895 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.811 -5.080 1.056 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.450 -4.787 1.001 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.023 -3.477 0.767 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 3.363 1.403 -0.354 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.309 2.075 -1.113 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 4.659 1.100 -0.025 0.00 0.00 +0.245 C ATOM 27 O LIG 1 5.594 1.789 -0.415 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.921 -0.057 0.846 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.875 -1.352 0.319 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.094 -2.456 1.156 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.368 -2.233 2.516 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.440 -0.934 3.028 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.219 0.159 2.192 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 4.992 -3.857 0.603 0.00 0.00 +0.417 C ATOM 35 F LIG 1 5.584 -4.795 1.393 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.696 -4.253 0.461 0.00 0.00 -0.166 F ATOM 37 F LIG 1 5.562 -3.989 -0.626 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 0.351 -2.218 -1.933 0.00 0.00 +0.112 C ATOM 39 C LIG 1 1.305 -3.407 -1.902 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -2.099 2.246 1.469 0.00 0.00 +0.165 C BRANCH 40 42 ATOM 41 C LIG 1 -4.532 2.338 1.510 0.00 0.00 +0.291 C ATOM 42 N LIG 1 -3.353 2.652 0.845 0.00 0.00 -0.288 N ATOM 43 C LIG 1 -3.312 3.061 -0.550 0.00 0.00 +0.133 C ATOM 44 O LIG 1 -4.582 1.964 2.677 0.00 0.00 -0.260 OA BRANCH 41 47 ATOM 45 C LIG 1 -8.114 2.721 -0.478 0.00 0.00 +0.106 C ATOM 46 C LIG 1 -6.835 2.592 0.217 0.00 0.00 -0.096 C ATOM 47 C LIG 1 -5.787 2.481 0.797 0.00 0.00 -0.008 C ENDBRANCH 41 47 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 9