REMARK Name = BDB057921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.297 0.752 -2.862 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.965 1.151 -1.592 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.440 1.001 -0.270 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.394 1.492 0.624 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.187 1.469 2.015 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.017 0.948 2.498 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.995 0.471 1.626 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.469 1.933 -0.130 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.769 0.479 0.241 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.214 1.744 -1.476 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.182 2.119 -2.547 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.256 -0.065 2.205 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.386 0.082 1.434 0.00 0.00 -0.304 N ATOM 14 H LIG 1 -3.345 0.616 0.578 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.252 -0.579 3.318 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.706 -0.368 1.863 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 -5.374 -1.088 0.690 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -6.607 -0.717 0.130 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -7.172 -1.422 -0.950 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -6.483 -2.526 -1.469 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.266 -2.920 -0.921 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.721 -2.211 0.148 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -8.507 -0.977 -1.524 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -8.373 -0.540 -2.985 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -9.575 -2.063 -1.374 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.506 0.789 2.537 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -5.480 2.103 1.743 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.006 1.064 3.962 0.00 0.00 +0.009 C ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.671 2.558 0.424 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 4.875 1.645 0.407 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.831 0.363 0.973 0.00 0.00 +0.006 A ATOM 32 C LIG 1 5.963 -0.459 0.968 0.00 0.00 +0.009 A ATOM 33 C LIG 1 7.168 -0.021 0.403 0.00 0.00 -0.017 A ATOM 34 C LIG 1 7.214 1.269 -0.147 0.00 0.00 +0.009 A ATOM 35 C LIG 1 6.084 2.092 -0.142 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 8.359 -0.884 0.400 0.00 0.00 -0.004 A ATOM 37 C LIG 1 8.918 -1.425 -0.775 0.00 0.00 +0.067 A ATOM 38 C LIG 1 10.104 -2.173 -0.734 0.00 0.00 +0.015 A ATOM 39 C LIG 1 10.732 -2.422 0.485 0.00 0.00 +0.001 A ATOM 40 C LIG 1 10.182 -1.919 1.661 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.011 -1.156 1.618 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 8.307 -1.231 -2.104 0.00 0.00 +0.337 C ATOM 43 O LIG 1 8.882 -0.832 -3.099 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 7.030 -1.644 -2.126 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 6.731 -1.483 -3.044 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10