REMARK Name = LIG001535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.487 -1.481 -0.608 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.626 -2.835 -0.942 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.520 -3.629 -1.101 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -1.797 -3.119 -0.962 0.00 0.00 +0.074 A ATOM 5 N LIG 1 -2.813 -3.974 -1.121 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -4.083 -3.544 -0.958 0.00 0.00 +0.141 A ATOM 7 C LIG 1 -4.353 -2.204 -0.672 0.00 0.00 +0.108 A ATOM 8 C LIG 1 -3.304 -1.285 -0.563 0.00 0.00 +0.080 A ATOM 9 N LIG 1 -3.962 -0.064 -0.410 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -5.322 -0.339 -0.254 0.00 0.00 +0.137 A ATOM 11 N LIG 1 -5.566 -1.613 -0.469 0.00 0.00 -0.228 NA ATOM 12 C LIG 1 -1.950 -1.742 -0.658 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -0.798 -0.949 -0.457 0.00 0.00 +0.058 A ENDROOT BRANCH 2 14 ATOM 14 C LIG 1 1.929 -3.443 -1.139 0.00 0.00 +0.050 A ATOM 15 C LIG 1 2.363 -3.990 -2.328 0.00 0.00 +0.142 A ATOM 16 C LIG 1 1.775 -4.157 -3.671 0.00 0.00 +0.090 C ATOM 17 O LIG 1 3.623 -4.477 -2.162 0.00 0.00 -0.359 OA ATOM 18 N LIG 1 4.038 -4.261 -0.861 0.00 0.00 -0.083 NA ATOM 19 C LIG 1 3.018 -3.646 -0.249 0.00 0.00 +0.089 A ATOM 20 C LIG 1 3.118 -3.298 1.187 0.00 0.00 +0.070 C ENDBRANCH 2 14 BRANCH 9 21 ATOM 21 C LIG 1 -3.427 1.297 -0.623 0.00 0.00 +0.116 C ATOM 22 C LIG 1 -2.850 1.426 -2.045 0.00 0.00 +0.036 C BRANCH 21 23 ATOM 23 C LIG 1 -2.582 1.834 0.528 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -2.865 1.478 1.861 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -2.128 2.010 2.924 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.107 2.925 2.679 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.826 3.314 1.373 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.561 2.780 0.308 0.00 0.00 +0.005 A ENDBRANCH 21 23 ENDBRANCH 9 21 BRANCH 1 29 ATOM 29 O LIG 1 1.645 -0.763 -0.445 0.00 0.00 -0.491 OA BRANCH 29 30 ATOM 30 C LIG 1 1.546 0.658 -0.355 0.00 0.00 +0.234 C BRANCH 30 34 ATOM 31 C LIG 1 5.764 2.028 1.809 0.00 0.00 +0.239 C ATOM 32 N LIG 1 4.774 2.013 0.858 0.00 0.00 -0.298 N ATOM 33 C LIG 1 3.792 0.940 0.827 0.00 0.00 +0.115 C ATOM 34 C LIG 1 2.957 1.231 -0.421 0.00 0.00 +0.045 C ATOM 35 C LIG 1 2.996 2.758 -0.491 0.00 0.00 +0.027 C ATOM 36 C LIG 1 4.432 3.070 -0.085 0.00 0.00 +0.108 C ATOM 37 O LIG 1 5.828 1.223 2.735 0.00 0.00 -0.271 OA BRANCH 31 39 ATOM 38 C LIG 1 7.547 3.270 0.633 0.00 0.00 +0.013 C ATOM 39 C LIG 1 6.782 3.104 1.722 0.00 0.00 +0.060 C ENDBRANCH 31 39 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 1 29 BRANCH 10 40 ATOM 40 C LIG 1 -6.390 0.644 0.118 0.00 0.00 +0.233 C BRANCH 40 41 ATOM 41 O LIG 1 -6.358 0.805 1.546 0.00 0.00 -0.375 OA ATOM 42 C LIG 1 -7.116 -0.215 2.213 0.00 0.00 +0.194 C ENDBRANCH 40 41 ENDBRANCH 10 40 TORSDOF 9