REMARK Name = BDB052932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.266 0.917 -0.744 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.508 2.210 -0.408 0.00 0.00 -0.228 NA ATOM 3 C LIG 1 1.413 2.918 -0.080 0.00 0.00 +0.158 A ATOM 4 C LIG 1 0.099 2.486 -0.038 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.644 3.628 0.395 0.00 0.00 +0.102 A ATOM 6 N LIG 1 0.161 4.695 0.567 0.00 0.00 -0.171 NA ATOM 7 C LIG 1 -0.111 1.150 -0.403 0.00 0.00 +0.052 A ATOM 8 N LIG 1 1.388 4.231 0.278 0.00 0.00 -0.260 N ATOM 9 H LIG 1 2.180 4.858 0.344 0.00 0.00 +0.191 HD ATOM 10 C LIG 1 0.987 0.359 -0.761 0.00 0.00 +0.042 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 5.803 -1.349 -1.812 0.00 0.00 +0.162 A ATOM 12 C LIG 1 4.717 -1.979 -1.185 0.00 0.00 +0.162 A ATOM 13 C LIG 1 3.582 -1.237 -0.821 0.00 0.00 +0.059 A ATOM 14 C LIG 1 3.466 0.132 -1.110 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.552 0.738 -1.761 0.00 0.00 +0.014 A ATOM 16 C LIG 1 5.701 0.013 -2.105 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 8.059 -1.446 -2.596 0.00 0.00 +0.277 C ATOM 18 O LIG 1 6.911 -2.107 -2.079 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 4.649 -3.299 -0.812 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 5.192 -4.228 -1.746 0.00 0.00 +0.277 C ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 5 21 ATOM 21 C LIG 1 -2.075 3.744 0.658 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -2.708 2.892 1.572 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -4.080 3.005 1.808 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -4.825 3.980 1.145 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.199 4.846 0.250 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -2.829 4.731 0.009 0.00 0.00 +0.010 A ENDBRANCH 5 21 BRANCH 7 27 ATOM 27 C LIG 1 -1.462 0.578 -0.455 0.00 0.00 +0.249 C ATOM 28 N LIG 1 -1.686 -0.378 0.516 0.00 0.00 -0.281 N ATOM 29 H LIG 1 -0.914 -0.578 1.137 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -2.216 0.983 -1.326 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 -2.889 -1.076 0.776 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -2.916 -2.019 1.827 0.00 0.00 -0.029 A ATOM 33 C LIG 1 -1.710 -2.313 2.679 0.00 0.00 +0.045 C ATOM 34 C LIG 1 -4.109 -2.714 2.102 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -5.267 -2.498 1.348 0.00 0.00 -0.050 A ATOM 36 C LIG 1 -6.540 -3.223 1.671 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -5.234 -1.552 0.324 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.056 -0.854 0.039 0.00 0.00 +0.024 A ENDBRANCH 28 31 ENDBRANCH 7 27 TORSDOF 6