REMARK Name = BDB053406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.105 0.208 -1.121 0.00 0.00 +0.121 C ATOM 2 C LIG 1 -1.256 0.311 -0.489 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.246 0.417 -1.472 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.584 0.544 -1.131 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.949 0.557 0.227 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.932 0.481 1.206 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.646 0.431 -2.844 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.585 0.368 0.854 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.237 -0.124 -2.588 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.814 -2.081 -0.184 0.00 0.00 +0.112 A ATOM 11 N LIG 1 1.001 -0.743 -0.489 0.00 0.00 -0.305 N ATOM 12 C LIG 1 2.279 -0.410 -0.102 0.00 0.00 +0.161 A ATOM 13 C LIG 1 2.814 -1.572 0.429 0.00 0.00 +0.111 A ATOM 14 C LIG 1 4.125 -1.538 0.927 0.00 0.00 -0.020 A ATOM 15 C LIG 1 4.783 -0.299 0.835 0.00 0.00 +0.029 A ATOM 16 C LIG 1 4.140 0.810 0.271 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.819 -2.724 1.519 0.00 0.00 +0.046 C ATOM 18 N LIG 1 2.875 0.793 -0.218 0.00 0.00 -0.232 NA ATOM 19 N LIG 1 1.906 -2.594 0.359 0.00 0.00 -0.230 NA BRANCH 10 21 ATOM 20 C LIG 1 -1.038 -3.379 0.872 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -0.429 -2.879 -0.429 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 4.872 2.130 0.177 0.00 0.00 +0.058 C BRANCH 22 23 ATOM 23 C LIG 1 5.989 2.141 -0.883 0.00 0.00 -0.011 C ATOM 24 C LIG 1 6.818 3.420 -0.753 0.00 0.00 +0.007 C ATOM 25 C LIG 1 5.425 2.032 -2.303 0.00 0.00 +0.007 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.364 0.653 0.628 0.00 0.00 -0.004 A ATOM 27 C LIG 1 -6.007 -0.321 1.420 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -7.333 -0.152 1.841 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -8.052 0.976 1.450 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.447 1.937 0.648 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.117 1.779 0.246 0.00 0.00 +0.009 A BRANCH 27 32 ATOM 32 C LIG 1 -5.332 -1.566 1.855 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -5.239 -1.897 3.024 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.914 -2.322 0.819 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -5.080 -1.919 -0.055 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 5 26 TORSDOF 7