REMARK Name = BDB022402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.486 -0.311 2.449 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.205 -0.206 1.879 0.00 0.00 +0.013 A ATOM 3 C LIG 1 1.380 0.912 2.112 0.00 0.00 -0.016 A ATOM 4 C LIG 1 1.869 1.938 2.934 0.00 0.00 +0.008 A ATOM 5 C LIG 1 3.136 1.850 3.511 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.936 0.735 3.271 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.045 1.004 1.507 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.906 -0.003 1.657 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -2.152 0.018 1.121 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -2.497 1.101 0.393 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -1.627 2.160 0.181 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -0.349 2.107 0.745 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -3.792 1.033 -0.118 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -4.261 0.182 0.156 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -4.462 1.972 -0.852 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -4.069 3.089 -1.164 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.844 1.577 -1.240 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -6.233 0.323 -1.519 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -7.626 -0.041 -1.943 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -8.174 -1.093 -1.083 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 -9.322 -1.753 -1.746 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -10.242 -2.452 -0.735 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -10.865 -1.529 0.169 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -10.073 -0.359 0.413 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -8.564 -0.605 0.260 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 3.779 -2.727 1.560 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.418 -1.493 2.204 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 5.658 -1.086 1.398 0.00 0.00 +0.225 C ATOM 29 N LIG 1 5.371 -0.551 0.163 0.00 0.00 -0.268 N ATOM 30 H LIG 1 4.417 -0.366 -0.113 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 6.786 -1.276 1.852 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 6.292 -0.137 -0.766 0.00 0.00 +0.147 A ATOM 33 N LIG 1 5.848 0.397 -1.907 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 6.970 0.693 -2.586 0.00 0.00 -0.280 N ATOM 35 H LIG 1 6.883 1.122 -3.501 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 8.111 0.360 -1.919 0.00 0.00 +0.041 A ATOM 37 C LIG 1 7.703 -0.185 -0.726 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 9.554 0.575 -2.440 0.00 0.00 +0.037 C ATOM 39 C LIG 1 10.630 -0.416 -2.085 0.00 0.00 +0.010 C ATOM 40 C LIG 1 10.643 0.957 -1.475 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9