REMARK Name = BDB050778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.705 1.011 1.309 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.523 0.292 1.090 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.704 0.954 0.965 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.765 2.345 1.056 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.410 3.063 1.295 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.637 2.405 1.415 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.034 0.296 1.402 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.809 0.288 0.068 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -5.194 -0.175 0.335 0.00 0.00 -0.331 N ATOM 10 H LIG 1 -5.170 -1.141 0.708 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -7.121 -1.137 -0.870 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -6.141 -0.123 -0.713 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -6.228 1.004 -1.548 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -7.193 1.097 -2.555 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -8.116 0.074 -2.731 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.085 -1.038 -1.890 0.00 0.00 +0.013 A BRANCH 11 18 ATOM 17 C LIG 1 -8.370 -3.175 0.138 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -7.117 -2.347 0.021 0.00 0.00 +0.162 C ATOM 19 O LIG 1 -6.099 -2.660 0.640 0.00 0.00 -0.292 OA ENDBRANCH 11 18 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 20 ATOM 20 C LIG 1 -3.106 -0.642 -0.928 0.00 0.00 +0.326 C ATOM 21 O LIG 1 -2.616 -1.738 -0.697 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT LIG 1 -3.091 -0.157 -2.187 0.00 0.00 -0.479 OA ATOM 23 HXT LIG 1 -2.666 -0.877 -2.697 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 8 20 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 O LIG 1 1.892 3.113 0.950 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.076 2.496 0.439 0.00 0.00 +0.235 C BRANCH 25 26 ATOM 26 C LIG 1 3.945 1.972 1.580 0.00 0.00 +0.100 C BRANCH 26 27 ATOM 27 C LIG 1 5.169 1.303 1.078 0.00 0.00 +0.086 A ATOM 28 C LIG 1 6.466 1.764 1.020 0.00 0.00 +0.126 A ATOM 29 C LIG 1 7.142 3.015 1.405 0.00 0.00 +0.088 C ATOM 30 O LIG 1 7.234 0.784 0.458 0.00 0.00 -0.440 OA ATOM 31 C LIG 1 6.354 -0.238 0.205 0.00 0.00 +0.228 A ATOM 32 N LIG 1 5.110 0.030 0.557 0.00 0.00 -0.214 NA BRANCH 31 33 ATOM 33 C LIG 1 6.899 -1.446 -0.410 0.00 0.00 +0.037 A ATOM 34 C LIG 1 6.055 -2.543 -0.646 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.543 -3.712 -1.234 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.884 -3.798 -1.597 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.736 -2.719 -1.370 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.247 -1.550 -0.781 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 12