REMARK Name = BDB043751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.567 0.608 -0.768 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.880 0.352 -0.678 0.00 0.00 -0.308 N ATOM 3 H LIG 1 1.883 1.164 -1.284 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.669 -0.187 -0.299 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.578 -1.220 0.360 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.174 -0.308 -0.421 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 4.129 0.074 -1.577 0.00 0.00 +0.028 C BRANCH 7 8 ATOM 8 C LIG 1 5.528 -0.579 -1.565 0.00 0.00 -0.009 C ATOM 9 C LIG 1 6.325 -0.106 -2.796 0.00 0.00 +0.003 C ATOM 10 C LIG 1 7.711 -0.743 -2.860 0.00 0.00 +0.000 C ATOM 11 C LIG 1 7.629 -2.264 -2.821 0.00 0.00 +0.000 C ATOM 12 C LIG 1 6.850 -2.748 -1.603 0.00 0.00 +0.000 C ATOM 13 C LIG 1 5.462 -2.114 -1.527 0.00 0.00 +0.003 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 3.740 0.086 0.972 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 O LIG 1 3.732 1.515 1.086 0.00 0.00 -0.389 OA ATOM 16 H LIG 1 2.812 1.798 0.934 0.00 0.00 +0.210 HD ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 2.970 -0.522 2.138 0.00 0.00 +0.160 C BRANCH 17 18 ATOM 18 P LIG 1 3.951 -0.710 3.614 0.00 0.00 +0.333 P ATOM 19 O LIG 1 5.256 -1.428 3.476 0.00 0.00 -0.259 OA BRANCH 18 20 ATOM 20 O LIG 1 2.974 -1.476 4.635 0.00 0.00 -0.324 OA ATOM 21 H LIG 1 3.440 -1.715 5.458 0.00 0.00 +0.220 HD ENDBRANCH 18 20 BRANCH 18 23 ATOM 22 C LIG 1 5.053 1.626 3.902 0.00 0.00 +0.204 C ATOM 23 O LIG 1 4.041 0.731 4.319 0.00 0.00 -0.311 OA ENDBRANCH 18 23 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.778 -0.146 -0.484 0.00 0.00 -0.302 N ATOM 25 H LIG 1 -1.709 -0.896 0.203 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -2.942 0.051 -1.186 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -3.007 0.837 -2.134 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.151 -0.792 -0.729 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 N LIG 1 -5.343 -0.135 -1.261 0.00 0.00 -0.269 N ATOM 30 H LIG 1 -5.334 0.108 -2.244 0.00 0.00 +0.153 HD ATOM 31 C LIG 1 -6.037 0.766 -0.510 0.00 0.00 +0.401 C ATOM 32 O LIG 1 -5.947 0.885 0.701 0.00 0.00 -0.226 OA BRANCH 31 33 ATOM 33 O LIG 1 -6.820 1.499 -1.333 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 -7.670 2.550 -0.804 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -8.732 1.983 0.144 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.842 3.658 -0.141 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -8.376 3.138 -2.036 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 -4.052 -2.229 -1.258 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 -3.180 -3.115 -0.399 0.00 0.00 -0.045 A ATOM 40 C LIG 1 -3.622 -3.527 0.867 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -2.801 -4.305 1.684 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -1.533 -4.679 1.244 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -1.089 -4.285 -0.016 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -1.909 -3.510 -0.838 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 28 38 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 -0.611 2.036 -0.194 0.00 0.00 +0.034 C BRANCH 45 46 ATOM 46 C LIG 1 -0.500 2.177 1.341 0.00 0.00 -0.015 C ATOM 47 C LIG 1 -1.674 1.556 2.098 0.00 0.00 +0.007 C ATOM 48 C LIG 1 -0.392 3.662 1.706 0.00 0.00 +0.007 C ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 19