REMARK Name = BDB059941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.233 0.846 -1.089 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -3.009 0.307 -2.353 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.935 0.762 -3.122 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.066 1.741 -2.621 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -1.278 2.241 -1.329 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.351 1.785 -0.561 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -4.240 0.371 -0.301 0.00 0.00 -0.477 OA BRANCH 7 9 ATOM 8 C LIG 1 -5.529 2.513 -0.419 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -5.544 0.979 -0.480 0.00 0.00 +0.180 C ATOM 10 C LIG 1 -6.218 0.489 -1.769 0.00 0.00 +0.065 C BRANCH 9 11 ATOM 11 C LIG 1 -6.396 0.437 0.704 0.00 0.00 +0.261 C ATOM 12 N LIG 1 -6.114 -0.892 0.991 0.00 0.00 -0.282 N ATOM 13 H LIG 1 -5.283 -1.253 0.532 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 -7.256 1.121 1.254 0.00 0.00 -0.271 OA BRANCH 12 15 ATOM 15 C LIG 1 -6.739 -1.734 1.929 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -6.188 -3.009 2.108 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -6.753 -3.909 3.016 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -7.877 -3.542 3.750 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -8.434 -2.278 3.575 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.868 -1.377 2.667 0.00 0.00 +0.023 A ENDBRANCH 12 15 ENDBRANCH 9 11 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 0.106 2.223 -3.445 0.00 0.00 +0.076 C BRANCH 21 22 ATOM 22 C LIG 1 1.411 1.504 -3.094 0.00 0.00 +0.233 C BRANCH 22 23 ATOM 23 O LIG 1 1.912 2.020 -1.858 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 3.054 1.455 -1.365 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.450 1.931 -0.116 0.00 0.00 +0.047 A ATOM 26 C LIG 1 4.603 1.437 0.503 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.381 0.457 -0.122 0.00 0.00 +0.034 A ATOM 28 C LIG 1 4.986 -0.012 -1.375 0.00 0.00 +0.027 A ATOM 29 C LIG 1 3.829 0.483 -1.994 0.00 0.00 +0.047 A BRANCH 27 30 ATOM 30 N LIG 1 6.532 0.013 0.561 0.00 0.00 -0.281 N ATOM 31 H LIG 1 6.692 0.435 1.466 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 7.402 -0.992 0.176 0.00 0.00 +0.248 C ATOM 33 O LIG 1 7.294 -1.726 -0.799 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 8.560 -1.199 1.091 0.00 0.00 +0.037 A ATOM 35 C LIG 1 9.025 -2.503 1.296 0.00 0.00 +0.013 A ATOM 36 C LIG 1 10.105 -2.736 2.148 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.731 -1.666 2.788 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.285 -0.362 2.571 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.202 -0.124 1.721 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10