REMARK Name = BDB010546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.009 -1.143 0.232 0.00 0.00 +0.101 A ATOM 2 C LIG 1 0.746 -1.066 0.805 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.535 -1.652 2.044 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.764 -1.555 2.439 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.370 -0.918 1.466 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.488 -2.261 2.769 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.683 -2.244 2.160 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -0.474 -0.512 0.494 0.00 0.00 -0.308 N ATOM 9 N LIG 1 2.990 -1.730 0.955 0.00 0.00 -0.222 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.782 -2.880 2.922 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.517 -3.422 4.123 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.627 -3.453 4.594 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.669 -3.920 4.589 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.825 -4.490 5.656 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.652 -3.680 3.661 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.023 -2.990 2.574 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 19 ATOM 17 C LIG 1 3.595 0.867 -2.546 0.00 0.00 -0.047 A ATOM 18 C LIG 1 3.248 0.402 -1.268 0.00 0.00 +0.013 A ATOM 19 C LIG 1 2.369 -0.679 -1.100 0.00 0.00 +0.003 A ATOM 20 C LIG 1 1.872 -1.321 -2.246 0.00 0.00 +0.010 A ATOM 21 C LIG 1 2.217 -0.873 -3.522 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.072 0.219 -3.671 0.00 0.00 +0.003 A BRANCH 17 24 ATOM 23 C LIG 1 5.997 1.561 -2.735 0.00 0.00 +0.009 C ATOM 24 C LIG 1 4.549 2.024 -2.703 0.00 0.00 +0.032 C ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 5 25 ATOM 25 N LIG 1 -2.706 -0.658 1.353 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -3.539 -1.895 1.125 0.00 0.00 +0.132 C ATOM 27 C LIG 1 -5.040 -1.505 1.031 0.00 0.00 +0.187 C ATOM 28 O LIG 1 -5.489 -0.797 2.200 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 -4.711 0.395 2.378 0.00 0.00 +0.179 C ATOM 30 C LIG 1 -3.226 0.060 2.554 0.00 0.00 +0.136 C BRANCH 26 31 ATOM 31 C LIG 1 -3.079 -2.668 -0.110 0.00 0.00 -0.025 A ATOM 32 C LIG 1 -3.348 -2.229 -1.417 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.883 -2.947 -2.521 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.138 -4.109 -2.337 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.853 -4.554 -1.048 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.319 -3.839 0.056 0.00 0.00 +0.005 A ENDBRANCH 26 31 ENDBRANCH 5 25 BRANCH 8 37 ATOM 37 C LIG 1 -0.804 0.382 -0.601 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.923 1.862 -0.191 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -1.552 2.675 -1.341 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.071 4.125 -1.415 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.777 4.745 -0.046 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -2.063 4.969 0.756 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.244 3.909 0.746 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.415 2.474 0.236 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 7