REMARK Name = BDB046193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.311 -2.497 -0.230 0.00 0.00 +0.185 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.595 -2.052 0.293 0.00 0.00 -0.268 N ATOM 3 H LIG 1 -3.689 -1.869 1.285 0.00 0.00 +0.153 HD ATOM 4 C LIG 1 -4.716 -1.960 -0.465 0.00 0.00 +0.401 C ATOM 5 O LIG 1 -4.779 -2.196 -1.661 0.00 0.00 -0.226 OA BRANCH 4 6 ATOM 6 O LIG 1 -5.746 -1.560 0.316 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -6.989 -1.389 -0.390 0.00 0.00 +0.246 C BRANCH 7 8 ATOM 8 C LIG 1 -8.064 -0.910 0.591 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -7.936 0.574 0.932 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -9.115 1.261 0.570 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -9.231 2.624 0.789 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -8.157 3.298 1.379 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.989 2.609 1.745 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -10.052 0.318 -0.003 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -11.332 0.508 -0.498 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -12.027 -0.600 -0.991 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -11.444 -1.878 -0.983 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -10.155 -2.071 -0.485 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.871 1.236 1.525 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -9.466 -0.967 -0.005 0.00 0.00 -0.029 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -1.423 -2.900 0.945 0.00 0.00 +0.325 C ATOM 22 O LIG 1 -1.587 -2.574 2.112 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 -0.379 -3.670 0.585 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 0.109 -3.848 1.416 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 25 ATOM 25 C LIG 1 -1.623 -1.439 -1.105 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 -1.464 -0.072 -0.421 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 -0.756 0.955 -1.309 0.00 0.00 +0.145 C BRANCH 27 31 ATOM 28 C LIG 1 2.804 0.610 -1.169 0.00 0.00 +0.113 A ATOM 29 N LIG 1 2.465 -0.046 -2.328 0.00 0.00 -0.130 NA ATOM 30 N LIG 1 1.150 0.031 -2.484 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 0.664 0.712 -1.436 0.00 0.00 -0.251 N ATOM 32 C LIG 1 1.657 1.105 -0.588 0.00 0.00 +0.138 A BRANCH 28 36 ATOM 33 C LIG 1 6.845 0.919 0.223 0.00 0.00 +0.036 A ATOM 34 C LIG 1 5.809 1.550 0.919 0.00 0.00 +0.024 A ATOM 35 C LIG 1 4.483 1.457 0.474 0.00 0.00 +0.012 A ATOM 36 C LIG 1 4.167 0.729 -0.679 0.00 0.00 +0.004 A ATOM 37 C LIG 1 5.210 0.101 -1.372 0.00 0.00 +0.012 A ATOM 38 C LIG 1 6.536 0.194 -0.926 0.00 0.00 +0.024 A BRANCH 33 40 ATOM 39 C LIG 1 9.313 0.549 0.248 0.00 0.00 +0.405 C ATOM 40 N LIG 1 8.145 1.062 0.734 0.00 0.00 -0.251 N ATOM 41 H LIG 1 8.271 1.613 1.571 0.00 0.00 +0.158 HD ATOM 42 O LIG 1 9.469 -0.150 -0.739 0.00 0.00 -0.226 OA BRANCH 39 43 ATOM 43 O LIG 1 10.312 0.957 1.072 0.00 0.00 -0.444 OA BRANCH 43 45 ATOM 44 C LIG 1 12.192 1.138 -0.513 0.00 0.00 +0.055 C ATOM 45 C LIG 1 11.690 0.574 0.821 0.00 0.00 +0.107 C ATOM 46 C LIG 1 11.872 -0.945 0.908 0.00 0.00 +0.055 C ATOM 47 C LIG 1 12.488 1.228 1.960 0.00 0.00 +0.055 C ENDBRANCH 43 45 ENDBRANCH 39 43 ENDBRANCH 33 40 ENDBRANCH 28 36 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 14