REMARK Name = BDB051037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.301 1.379 0.611 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.144 0.005 0.286 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.124 -0.513 -0.042 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -2.197 0.359 -0.045 0.00 0.00 +0.138 A ATOM 5 O LIG 1 -3.341 -0.293 -0.390 0.00 0.00 -0.459 OA ATOM 6 C LIG 1 -3.013 -1.600 -0.601 0.00 0.00 +0.109 A ATOM 7 C LIG 1 -2.107 1.710 0.269 0.00 0.00 +0.070 A ATOM 8 C LIG 1 -1.660 -1.783 -0.396 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -0.840 2.228 0.609 0.00 0.00 +0.037 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.139 -2.509 -0.978 0.00 0.00 +0.058 C ATOM 11 C LIG 1 -3.923 -3.103 -2.379 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -4.674 -4.424 -2.524 0.00 0.00 +0.085 C ATOM 13 N LIG 1 -4.164 -5.446 -1.601 0.00 0.00 -0.305 NA ATOM 14 C LIG 1 -5.123 -6.537 -1.450 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -3.713 -4.920 -0.305 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -4.373 -3.598 0.083 0.00 0.00 +0.026 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 C LIG 1 1.263 -0.957 0.309 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.053 -0.953 -0.821 0.00 0.00 -0.307 N ATOM 19 H LIG 1 1.718 -0.405 -1.602 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 1.381 -1.719 1.258 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 2.896 -2.094 -1.143 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 C LIG 1 4.039 -2.265 -0.185 0.00 0.00 +0.037 A ATOM 23 C LIG 1 4.130 -3.626 0.446 0.00 0.00 +0.254 A ATOM 24 O LIG 1 3.393 -4.556 0.128 0.00 0.00 -0.268 OA ATOM 25 N LIG 1 5.125 -3.807 1.375 0.00 0.00 -0.326 N ATOM 26 H LIG 1 5.147 -4.724 1.804 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 6.050 -2.856 1.723 0.00 0.00 +0.016 A ATOM 28 C LIG 1 7.061 -3.234 2.759 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.005 -1.658 1.123 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.986 -1.351 0.130 0.00 0.00 -0.039 A ATOM 31 C LIG 1 5.095 0.020 -0.473 0.00 0.00 +0.044 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 1 33 ATOM 32 C LIG 1 2.414 2.504 -0.213 0.00 0.00 +0.009 C ATOM 33 C LIG 1 1.669 1.922 0.980 0.00 0.00 +0.034 C ENDBRANCH 1 33 BRANCH 9 34 ATOM 34 N LIG 1 -0.702 3.592 0.971 0.00 0.00 -0.327 N BRANCH 34 35 ATOM 35 C LIG 1 -0.737 4.513 -0.197 0.00 0.00 +0.078 C ATOM 36 C LIG 1 0.142 5.736 0.076 0.00 0.00 +0.050 C ATOM 37 C LIG 1 0.220 6.617 -1.168 0.00 0.00 +0.161 C ATOM 38 O LIG 1 -0.928 6.508 -2.011 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -2.134 6.327 -1.278 0.00 0.00 +0.161 C ATOM 40 C LIG 1 -2.147 4.949 -0.623 0.00 0.00 +0.050 C ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -1.457 3.976 2.181 0.00 0.00 +0.102 C ATOM 42 C LIG 1 -0.823 3.399 3.440 0.00 0.00 +0.024 C ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 8