REMARK Name = LIG001070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.571 -0.073 0.502 0.00 0.00 -0.311 N ATOM 2 H LIG 1 -2.486 0.276 1.448 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -1.468 0.016 -0.324 0.00 0.00 +0.213 C ATOM 4 O LIG 1 -1.382 -0.559 -1.403 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 7 ATOM 5 N LIG 1 -6.123 -1.323 0.427 0.00 0.00 -0.328 N ATOM 6 C LIG 1 -5.004 -0.459 0.826 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -3.692 -0.957 0.190 0.00 0.00 +0.090 C ATOM 8 C LIG 1 -3.381 -2.401 0.626 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -4.613 -3.156 1.131 0.00 0.00 +0.021 C ATOM 10 C LIG 1 -5.880 -2.772 0.373 0.00 0.00 +0.105 C BRANCH 5 20 ATOM 11 C LIG 1 -10.511 0.765 -2.667 0.00 0.00 +0.063 C ATOM 12 C LIG 1 -9.820 0.339 -1.421 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -8.536 -0.138 -1.214 0.00 0.00 -0.021 A ATOM 14 C LIG 1 -7.485 -0.343 -2.249 0.00 0.00 +0.046 C ATOM 15 C LIG 1 -8.402 -0.422 0.192 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -9.609 -0.062 0.797 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -9.827 -0.186 2.179 0.00 0.00 +0.060 A ATOM 18 C LIG 1 -8.805 -0.742 2.957 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -7.595 -1.114 2.376 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -7.351 -0.954 0.994 0.00 0.00 +0.039 A ATOM 21 N LIG 1 -10.456 0.352 -0.208 0.00 0.00 -0.357 N ATOM 22 H LIG 1 -11.421 0.616 -0.055 0.00 0.00 +0.166 HD BRANCH 17 23 ATOM 23 C LIG 1 -11.088 0.232 2.831 0.00 0.00 +0.244 C ATOM 24 O LIG 1 -11.526 -0.340 3.819 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 -11.715 1.333 2.308 0.00 0.00 -0.325 N ATOM 26 H LIG 1 -12.461 1.697 2.889 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 -11.154 2.025 1.826 0.00 0.00 +0.145 HD ENDBRANCH 17 23 ENDBRANCH 5 20 ENDBRANCH 1 7 BRANCH 3 28 ATOM 28 C LIG 1 -0.384 0.912 0.251 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 0.827 1.081 -0.666 0.00 0.00 +0.009 C BRANCH 29 30 ATOM 30 C LIG 1 1.741 -0.149 -0.672 0.00 0.00 +0.000 C BRANCH 30 31 ATOM 31 C LIG 1 2.912 -0.020 -1.653 0.00 0.00 +0.000 C BRANCH 31 32 ATOM 32 C LIG 1 3.938 1.035 -1.235 0.00 0.00 +0.005 C BRANCH 32 33 ATOM 33 C LIG 1 5.093 1.110 -2.237 0.00 0.00 +0.035 C BRANCH 33 34 ATOM 34 C LIG 1 6.126 2.122 -1.812 0.00 0.00 -0.043 A ATOM 35 C LIG 1 7.237 1.777 -1.047 0.00 0.00 -0.033 A ATOM 36 C LIG 1 7.681 0.416 -0.597 0.00 0.00 +0.048 C ATOM 37 C LIG 1 8.772 0.704 0.462 0.00 0.00 +0.076 C ATOM 38 C LIG 1 9.208 2.118 0.106 0.00 0.00 +0.168 C ATOM 39 O LIG 1 10.250 2.668 0.416 0.00 0.00 -0.292 OA ATOM 40 C LIG 1 8.159 2.753 -0.681 0.00 0.00 +0.021 A ATOM 41 C LIG 1 8.038 4.083 -1.035 0.00 0.00 +0.011 A ATOM 42 C LIG 1 6.923 4.445 -1.787 0.00 0.00 +0.001 A ATOM 43 C LIG 1 5.976 3.476 -2.167 0.00 0.00 +0.004 A BRANCH 37 44 ATOM 44 C LIG 1 9.975 -0.256 0.484 0.00 0.00 +0.087 C ATOM 45 C LIG 1 10.664 -0.214 1.849 0.00 0.00 +0.223 C ATOM 46 O LIG 1 10.332 0.521 2.774 0.00 0.00 -0.275 OA ATOM 47 N LIG 1 11.687 -1.114 2.016 0.00 0.00 -0.256 N ATOM 48 H LIG 1 12.139 -1.063 2.921 0.00 0.00 +0.157 HD ATOM 49 C LIG 1 11.700 -2.370 1.472 0.00 0.00 +0.219 C ATOM 50 O LIG 1 12.349 -3.281 1.982 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 10.898 -2.562 0.208 0.00 0.00 +0.097 C ATOM 52 C LIG 1 9.624 -1.724 0.221 0.00 0.00 +0.022 C ENDBRANCH 37 44 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 3 28 TORSDOF 11