REMARK Name = BDB057513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.654 1.206 1.395 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.915 0.378 0.130 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.567 -0.653 0.045 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.335 0.900 -0.973 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.566 0.269 -1.685 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.908 1.458 2.153 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.284 0.583 2.550 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.939 2.118 1.447 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -6.203 1.520 1.233 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -7.211 2.222 0.550 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.963 3.500 0.050 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.716 4.088 0.238 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.716 3.405 0.933 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.481 0.144 1.739 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.977 -0.235 2.795 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.347 -0.794 0.985 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -8.220 -1.621 1.700 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.043 -2.518 1.018 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.986 -2.599 -0.373 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.099 -1.791 -1.086 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.273 -0.892 -0.409 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.680 0.439 2.307 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.274 0.004 0.604 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.390 -1.075 0.613 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.113 -0.934 1.169 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.294 0.286 1.723 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.596 1.365 1.713 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.868 1.221 1.156 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.542 0.005 0.095 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 4.024 -1.220 -0.451 0.00 0.00 +0.264 C BRANCH 30 34 ATOM 31 C LIG 1 8.068 -0.545 -1.860 0.00 0.00 -0.045 A ATOM 32 C LIG 1 7.834 -1.114 -0.600 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.531 -1.333 -0.145 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.432 -0.996 -0.943 0.00 0.00 -0.010 A ATOM 35 C LIG 1 5.661 -0.414 -2.196 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.965 -0.195 -2.650 0.00 0.00 +0.004 A BRANCH 31 38 ATOM 37 C LIG 1 10.267 -1.598 -2.508 0.00 0.00 +0.012 C ATOM 38 C LIG 1 9.475 -0.294 -2.374 0.00 0.00 +0.013 C ATOM 39 C LIG 1 10.223 0.711 -1.495 0.00 0.00 +0.012 C ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12