REMARK Name = LIG000270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.936 -0.208 0.629 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.931 0.046 1.550 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.042 0.526 2.661 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.667 -0.338 0.913 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.944 -0.759 -0.382 0.00 0.00 -0.016 A ATOM 6 C LIG 1 1.915 -1.163 -1.219 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.591 -1.167 -0.739 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.345 -0.690 0.569 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.384 -0.282 1.413 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.410 -0.673 -0.649 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.005 1.752 -0.250 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.921 1.314 0.123 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.620 -0.019 0.002 0.00 0.00 -0.255 N ATOM 14 H LIG 1 9.320 -0.579 -0.465 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.381 -0.607 0.128 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.202 -1.751 -0.284 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.309 0.241 0.833 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.470 1.705 0.418 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.870 2.187 0.762 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -0.428 -1.514 -1.636 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -0.095 -2.145 -2.360 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.752 -1.905 -1.146 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.724 -0.748 -0.972 0.00 0.00 -0.023 A ATOM 24 C LIG 1 -3.946 -0.919 -0.257 0.00 0.00 -0.012 A ATOM 25 C LIG 1 -4.833 0.184 -0.123 0.00 0.00 -0.002 A ATOM 26 C LIG 1 -4.512 1.433 -0.707 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -5.389 2.516 -0.567 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -6.583 2.382 0.142 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -6.929 1.159 0.726 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -8.129 1.013 1.438 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -8.468 -0.209 2.015 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.612 -1.300 1.885 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -6.405 -1.182 1.179 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -5.540 -2.268 1.040 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.323 1.574 -1.424 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -6.054 0.054 0.593 0.00 0.00 -0.002 A ATOM 37 C LIG 1 -4.339 -2.139 0.336 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -2.448 0.499 -1.560 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 4