REMARK Name = LIG000228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.066 0.866 -2.838 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.878 0.837 -1.791 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.090 -0.347 -1.103 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.028 -0.642 0.017 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -1.720 -2.031 0.337 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -0.830 -2.584 -0.572 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -0.472 -3.741 -0.675 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.387 -1.495 -1.450 0.00 0.00 +0.042 A ATOM 9 C LIG 1 0.540 -1.520 -2.471 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.764 -0.326 -3.163 0.00 0.00 +0.009 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.574 -2.806 1.232 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -3.760 -3.427 0.476 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.271 -2.922 -0.523 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -4.322 -4.545 1.051 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -5.125 -4.930 0.573 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -3.977 -5.150 2.233 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -4.644 -6.074 2.689 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -2.798 -4.566 2.976 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -1.830 -3.883 2.023 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 0.685 3.321 -2.950 0.00 0.00 +0.128 A ATOM 21 C LIG 1 0.325 2.115 -3.586 0.00 0.00 +0.024 A ATOM 22 C LIG 1 0.215 2.126 -4.989 0.00 0.00 +0.012 A ATOM 23 C LIG 1 0.435 3.293 -5.726 0.00 0.00 +0.001 A ATOM 24 C LIG 1 0.757 4.479 -5.073 0.00 0.00 +0.004 A ATOM 25 C LIG 1 0.873 4.497 -3.685 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 0.772 3.355 -1.579 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 2.087 3.667 -1.091 0.00 0.00 +0.248 C BRANCH 27 28 ATOM 28 C LIG 1 2.981 2.421 -1.044 0.00 0.00 +0.148 C BRANCH 28 30 ATOM 29 C LIG 1 2.464 1.444 1.155 0.00 0.00 +0.401 C ATOM 30 N LIG 1 2.444 1.373 -0.202 0.00 0.00 -0.278 N ATOM 31 H LIG 1 1.788 0.710 -0.593 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 3.043 2.304 1.800 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 1.728 0.425 1.654 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 0.861 1.432 3.727 0.00 0.00 +0.055 C ATOM 35 C LIG 1 1.592 0.246 3.086 0.00 0.00 +0.107 C ATOM 36 C LIG 1 2.947 -0.020 3.749 0.00 0.00 +0.055 C ATOM 37 C LIG 1 0.718 -1.007 3.241 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 21 TORSDOF 8