REMARK Name = LIG000901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.754 -1.753 0.671 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 10 ATOM 2 N LIG 1 5.786 1.023 -0.544 0.00 0.00 -0.222 N ATOM 3 C LIG 1 4.982 0.175 0.175 0.00 0.00 +0.258 C ATOM 4 O LIG 1 5.025 -0.042 1.372 0.00 0.00 -0.269 OA ATOM 5 C LIG 1 4.046 -0.433 -0.778 0.00 0.00 +0.091 A ATOM 6 C LIG 1 4.375 0.055 -2.032 0.00 0.00 +0.053 A ATOM 7 C LIG 1 3.699 -0.322 -3.175 0.00 0.00 +0.014 A ATOM 8 C LIG 1 2.645 -1.222 -3.019 0.00 0.00 +0.004 A ATOM 9 C LIG 1 2.304 -1.723 -1.744 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.016 -1.340 -0.598 0.00 0.00 +0.134 A ATOM 11 C LIG 1 5.506 0.965 -1.879 0.00 0.00 +0.255 C ATOM 12 O LIG 1 6.064 1.519 -2.807 0.00 0.00 -0.270 OA BRANCH 2 19 ATOM 13 O LIG 1 10.683 3.433 0.059 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.562 2.933 0.053 0.00 0.00 +0.219 C ATOM 15 N LIG 1 9.389 1.582 -0.126 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.229 1.053 -0.316 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.204 0.894 -0.263 0.00 0.00 +0.240 C ATOM 18 O LIG 1 8.208 -0.299 -0.558 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.935 1.698 0.040 0.00 0.00 +0.171 C ATOM 20 C LIG 1 7.112 3.144 -0.413 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.313 3.747 0.300 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 10 BRANCH 1 22 ATOM 22 C LIG 1 2.034 -2.975 0.856 0.00 0.00 +0.264 C BRANCH 22 23 ATOM 23 C LIG 1 0.542 -2.760 0.960 0.00 0.00 -0.010 A ATOM 24 C LIG 1 0.018 -1.642 1.624 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -1.363 -1.464 1.740 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.249 -2.405 1.200 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -1.725 -3.533 0.554 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -0.345 -3.711 0.439 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 C LIG 1 -3.747 -2.225 1.337 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 -4.456 -2.233 0.047 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.923 -2.262 0.249 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -6.553 -0.951 0.781 0.00 0.00 +0.120 C ATOM 33 N LIG 1 -6.151 0.211 -0.047 0.00 0.00 -0.327 N ATOM 34 C LIG 1 -4.694 0.294 -0.278 0.00 0.00 +0.120 C ATOM 35 C LIG 1 -4.136 -1.054 -0.792 0.00 0.00 +0.103 C BRANCH 33 36 ATOM 36 C LIG 1 -6.845 1.397 0.242 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -6.208 2.601 0.585 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -6.938 3.764 0.859 0.00 0.00 +0.040 A ATOM 39 C LIG 1 -8.322 3.740 0.779 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -9.021 4.853 1.039 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -8.987 2.578 0.425 0.00 0.00 +0.040 A ATOM 42 C LIG 1 -8.251 1.421 0.154 0.00 0.00 +0.026 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7