REMARK Name = BDB060115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.332 0.150 1.881 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.623 -0.404 1.397 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.375 -0.197 2.078 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -3.036 -2.292 0.770 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.753 -1.727 0.951 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -0.661 -2.493 0.522 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.825 -3.786 0.011 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.096 -4.339 -0.109 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.206 -3.593 0.268 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.323 -1.066 2.290 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.249 -1.532 1.156 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -5.367 -1.344 0.196 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -5.158 -1.340 -1.190 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.237 -1.151 -2.056 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.522 -0.958 -1.544 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.732 -0.948 -0.166 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.656 -1.136 0.705 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.601 1.094 3.073 0.00 0.00 +0.326 C ATOM 19 O LIG 1 0.150 1.939 3.537 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -1.818 0.900 3.634 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.858 1.544 4.372 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 0.335 0.936 0.733 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.848 0.866 0.738 0.00 0.00 -0.045 A ATOM 24 C LIG 1 2.516 -0.102 -0.024 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.911 -0.171 -0.019 0.00 0.00 +0.030 A ATOM 26 C LIG 1 4.667 0.740 0.724 0.00 0.00 +0.086 A ATOM 27 C LIG 1 4.001 1.695 1.495 0.00 0.00 +0.030 A ATOM 28 C LIG 1 2.607 1.764 1.497 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 N LIG 1 6.071 0.648 0.767 0.00 0.00 -0.149 NA ATOM 30 N LIG 1 6.780 1.223 -0.097 0.00 0.00 -0.149 NA BRANCH 30 31 ATOM 31 C LIG 1 6.188 1.963 -1.138 0.00 0.00 +0.086 A ATOM 32 C LIG 1 5.970 1.369 -2.385 0.00 0.00 +0.029 A ATOM 33 C LIG 1 5.427 2.106 -3.438 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.112 3.451 -3.256 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.347 4.060 -2.026 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.892 3.321 -0.975 0.00 0.00 +0.029 A ENDBRANCH 30 31 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10