REMARK Name = LIG001975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.383 0.868 0.386 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.109 1.323 -0.379 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 10 ATOM 3 C LIG 1 4.024 1.296 1.077 0.00 0.00 +0.226 C ATOM 4 N LIG 1 4.319 2.336 0.074 0.00 0.00 -0.304 N ATOM 5 H LIG 1 5.277 2.339 -0.261 0.00 0.00 +0.150 HD ATOM 6 C LIG 1 3.284 2.657 -0.712 0.00 0.00 +0.128 A ATOM 7 C LIG 1 2.015 2.178 -0.583 0.00 0.00 +0.143 A ATOM 8 N LIG 1 1.183 2.704 -1.546 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.977 3.486 -2.257 0.00 0.00 +0.198 A ATOM 10 C LIG 1 1.713 1.205 0.446 0.00 0.00 +0.149 C ATOM 11 N LIG 1 3.273 3.478 -1.791 0.00 0.00 -0.333 N ATOM 12 H LIG 1 4.052 3.996 -2.168 0.00 0.00 +0.168 HD ATOM 13 N LIG 1 2.639 0.784 1.237 0.00 0.00 -0.240 NA BRANCH 3 15 ATOM 14 C LIG 1 4.980 -0.747 -0.160 0.00 0.00 +0.130 A ATOM 15 C LIG 1 5.016 0.147 0.926 0.00 0.00 +0.036 A ATOM 16 C LIG 1 6.008 -0.039 1.910 0.00 0.00 +0.014 A ATOM 17 C LIG 1 6.938 -1.075 1.803 0.00 0.00 +0.039 A ATOM 18 C LIG 1 6.888 -1.928 0.708 0.00 0.00 +0.127 A ATOM 19 F LIG 1 7.791 -2.912 0.598 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.925 -1.771 -0.278 0.00 0.00 +0.084 A BRANCH 14 22 ATOM 21 C LIG 1 3.122 -1.645 -1.200 0.00 0.00 +0.277 C ATOM 22 O LIG 1 4.059 -0.567 -1.158 0.00 0.00 -0.495 OA ENDBRANCH 14 22 ENDBRANCH 3 15 ENDBRANCH 1 10 BRANCH 1 23 ATOM 23 C LIG 1 -0.314 -0.145 1.054 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -1.684 -0.296 0.857 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -2.610 0.462 -0.039 0.00 0.00 +0.146 C ATOM 26 N LIG 1 -3.913 -0.110 0.266 0.00 0.00 -0.282 N ATOM 27 C LIG 1 -3.810 -1.204 1.109 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -4.680 -1.983 1.447 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -2.407 -1.286 1.529 0.00 0.00 +0.043 A ATOM 30 C LIG 1 -1.830 -2.162 2.424 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -0.467 -2.017 2.654 0.00 0.00 +0.003 A ATOM 32 C LIG 1 0.274 -1.020 1.984 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 C LIG 1 -5.085 0.197 -0.547 0.00 0.00 +0.163 C ATOM 34 C LIG 1 -5.199 -0.764 -1.741 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -4.227 -1.270 -2.300 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 -6.465 -0.946 -2.248 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -6.534 -1.552 -3.055 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -7.627 -0.327 -1.861 0.00 0.00 +0.219 C ATOM 39 O LIG 1 -8.667 -0.480 -2.495 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 -7.533 0.616 -0.684 0.00 0.00 +0.098 C ATOM 41 C LIG 1 -6.393 0.229 0.244 0.00 0.00 +0.041 C ENDBRANCH 26 33 ENDBRANCH 1 23 TORSDOF 5