REMARK Name = BDB047148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.934 2.026 1.827 0.00 0.00 +0.159 C ATOM 2 C LIG 1 2.311 0.687 2.485 0.00 0.00 +0.234 C ATOM 3 O LIG 1 2.215 0.476 3.693 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 2.679 -0.344 1.662 0.00 0.00 -0.299 N ATOM 5 H LIG 1 2.626 -1.181 2.239 0.00 0.00 +0.150 HD ATOM 6 C LIG 1 4.010 -0.342 1.040 0.00 0.00 +0.189 C ATOM 7 C LIG 1 4.618 -1.771 1.125 0.00 0.00 +0.238 C ATOM 8 O LIG 1 5.829 -1.984 1.074 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 3.756 -2.841 1.290 0.00 0.00 -0.313 N ATOM 10 H LIG 1 4.321 -3.663 1.485 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 2.732 -3.142 0.295 0.00 0.00 +0.104 C ATOM 12 C LIG 1 1.517 -3.858 0.890 0.00 0.00 +0.019 C ATOM 13 C LIG 1 0.339 -2.954 1.301 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -0.174 -2.089 0.137 0.00 0.00 +0.035 C ATOM 15 C LIG 1 -1.678 -1.703 0.130 0.00 0.00 +0.108 C ATOM 16 C LIG 1 -1.904 -0.786 -1.083 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -2.129 -1.074 1.488 0.00 0.00 +0.237 C ATOM 18 O LIG 1 -2.716 -1.779 2.324 0.00 0.00 -0.273 OA ATOM 19 N LIG 1 -1.852 0.196 1.876 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -2.245 0.399 2.795 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -1.021 1.274 1.330 0.00 0.00 +0.159 C ATOM 22 C LIG 1 -0.480 2.027 2.567 0.00 0.00 +0.234 C ATOM 23 O LIG 1 -1.200 2.232 3.549 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 0.787 2.537 2.584 0.00 0.00 -0.302 N ATOM 25 H LIG 1 1.003 2.863 3.522 0.00 0.00 +0.150 HD ENDROOT BRANCH 6 26 ATOM 26 C LIG 1 4.075 0.250 -0.356 0.00 0.00 -0.018 A ATOM 27 C LIG 1 2.961 0.359 -1.201 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.076 0.919 -2.475 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.310 1.375 -2.929 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.431 1.267 -2.111 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.315 0.707 -0.837 0.00 0.00 +0.006 A ENDBRANCH 6 26 BRANCH 15 32 ATOM 32 N LIG 1 -2.461 -2.967 0.001 0.00 0.00 -0.301 N ATOM 33 H LIG 1 -2.303 -3.604 0.773 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 -3.776 -3.020 -0.431 0.00 0.00 +0.216 C ATOM 35 O LIG 1 -4.362 -2.088 -0.969 0.00 0.00 -0.276 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.435 -4.378 -0.178 0.00 0.00 +0.069 C ATOM 37 C LIG 1 -3.732 -5.476 -0.974 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.922 -4.340 -0.526 0.00 0.00 +0.017 C ENDBRANCH 34 36 ENDBRANCH 15 32 BRANCH 1 40 ATOM 39 C LIG 1 2.823 4.278 1.083 0.00 0.00 +0.006 C ATOM 40 C LIG 1 3.104 3.011 1.880 0.00 0.00 +0.028 C ENDBRANCH 1 40 BRANCH 21 41 ATOM 41 C LIG 1 -1.852 2.259 0.494 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 C LIG 1 -0.973 3.165 -0.379 0.00 0.00 +0.023 C BRANCH 42 43 ATOM 43 C LIG 1 -1.796 4.141 -1.223 0.00 0.00 +0.115 C BRANCH 43 44 ATOM 44 N LIG 1 -2.547 3.427 -2.245 0.00 0.00 -0.356 N ATOM 45 H LIG 1 -2.021 2.678 -2.677 0.00 0.00 +0.162 HD BRANCH 44 46 ATOM 46 C LIG 1 -3.389 4.043 -3.105 0.00 0.00 +0.188 C ATOM 47 N LIG 1 -3.640 3.625 -4.292 0.00 0.00 -0.269 NA ATOM 48 H LIG 1 -3.124 2.764 -4.474 0.00 0.00 +0.190 HD BRANCH 46 49 ATOM 49 N LIG 1 -4.001 5.154 -2.659 0.00 0.00 -0.370 N ATOM 50 H LIG 1 -4.705 5.435 -3.334 0.00 0.00 +0.159 HD ATOM 51 H LIG 1 -4.428 5.017 -1.752 0.00 0.00 +0.159 HD ENDBRANCH 46 49 ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 21 41 TORSDOF 10