REMARK Name = BDB060109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.940 1.263 0.116 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.360 0.836 0.148 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.485 0.085 0.843 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.222 -0.368 -0.879 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.129 0.529 -0.984 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.957 1.169 -2.218 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.771 0.876 -3.320 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.795 -0.056 -3.211 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.025 -0.680 -1.990 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -3.558 -1.481 1.080 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.500 -1.051 0.415 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -5.888 -1.209 0.922 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.189 -2.327 1.708 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.481 -2.502 2.208 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.469 -1.558 1.933 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.167 -0.432 1.167 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.876 -0.252 0.665 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 -0.751 2.781 -0.097 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.490 3.524 -0.727 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 0.378 3.271 0.485 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 0.921 2.608 0.955 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.082 0.427 -0.849 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.371 0.355 -0.431 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.766 -0.496 0.609 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.103 -0.544 1.014 0.00 0.00 +0.030 A ATOM 26 C LIG 1 4.068 0.246 0.383 0.00 0.00 +0.086 A ATOM 27 C LIG 1 3.669 1.103 -0.649 0.00 0.00 +0.030 A ATOM 28 C LIG 1 2.334 1.155 -1.059 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 N LIG 1 5.399 0.199 0.834 0.00 0.00 -0.149 NA ATOM 30 N LIG 1 6.153 -0.225 -0.071 0.00 0.00 -0.149 NA BRANCH 30 31 ATOM 31 C LIG 1 7.484 -0.285 0.381 0.00 0.00 +0.086 A ATOM 32 C LIG 1 8.136 -1.522 0.427 0.00 0.00 +0.029 A ATOM 33 C LIG 1 9.467 -1.610 0.841 0.00 0.00 +0.002 A ATOM 34 C LIG 1 10.161 -0.456 1.202 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.527 0.784 1.150 0.00 0.00 +0.002 A ATOM 36 C LIG 1 8.195 0.868 0.737 0.00 0.00 +0.029 A ENDBRANCH 30 31 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10