REMARK Name = BDB017462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.119 0.879 -2.066 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.928 -0.513 -1.946 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.646 -0.992 -1.656 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.545 -0.159 -1.507 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -1.477 -1.041 -1.222 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -1.855 -2.322 -1.185 0.00 0.00 -0.164 NA ATOM 7 C LIG 1 -2.715 1.226 -1.659 0.00 0.00 +0.013 A ATOM 8 N LIG 1 -3.171 -2.262 -1.459 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.694 -3.130 -1.492 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.999 1.720 -1.939 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.838 -0.313 2.067 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.590 0.469 0.933 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.574 0.572 -0.043 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.641 1.288 -1.364 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -6.495 1.441 -2.345 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -9.030 0.981 -1.876 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -9.639 0.167 -0.938 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -10.581 -0.176 -1.043 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -9.500 1.387 -2.926 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -7.014 2.636 -1.569 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -8.799 -0.084 0.149 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -9.085 -0.845 1.261 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.082 -0.955 2.227 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.625 -0.060 2.899 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.956 -0.527 3.093 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.110 -0.727 -0.976 0.00 0.00 -0.039 C ATOM 27 C LIG 1 1.040 -0.449 -0.770 0.00 0.00 -0.059 C BRANCH 27 28 ATOM 28 C LIG 1 2.409 -0.114 -0.530 0.00 0.00 +0.025 A ATOM 29 C LIG 1 2.824 0.260 0.749 0.00 0.00 +0.017 A ATOM 30 C LIG 1 4.161 0.591 0.981 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.100 0.547 -0.061 0.00 0.00 -0.033 A ATOM 32 C LIG 1 4.672 0.174 -1.343 0.00 0.00 +0.006 A ATOM 33 C LIG 1 3.333 -0.156 -1.575 0.00 0.00 +0.017 A BRANCH 31 34 ATOM 34 C LIG 1 6.548 0.918 0.190 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.175 0.128 1.264 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 8.491 0.691 1.633 0.00 0.00 +0.100 C ATOM 37 C LIG 1 9.623 0.432 0.607 0.00 0.00 +0.099 C ATOM 38 N LIG 1 9.792 -0.979 0.207 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 10.457 -1.752 1.256 0.00 0.00 +0.105 C ATOM 40 C LIG 1 8.480 -1.562 -0.138 0.00 0.00 +0.099 C ATOM 41 C LIG 1 7.353 -1.293 0.890 0.00 0.00 +0.100 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6