REMARK Name = LIG001619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.541 0.098 -2.317 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.762 0.152 -1.886 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -1.278 0.632 -0.619 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -2.709 0.137 -0.364 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.552 0.350 -1.556 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.054 -0.479 -2.679 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.572 -0.360 -2.869 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -0.859 -0.761 -3.900 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.443 -0.480 -3.571 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.812 0.315 0.589 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.194 1.557 0.561 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.595 2.604 1.032 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.927 1.384 -0.156 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.853 0.065 -0.596 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.750 -0.374 -1.309 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.712 0.537 -1.568 0.00 0.00 +0.000 A ATOM 17 C LIG 1 1.816 1.875 -1.123 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.933 2.311 -0.406 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.088 -0.675 -0.200 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.902 -1.657 1.057 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.835 -1.054 1.097 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.458 -0.212 0.081 0.00 0.00 -0.255 N ATOM 23 H LIG 1 10.082 -0.208 -0.715 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 8.169 0.183 -0.198 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.856 0.516 -1.338 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.202 0.155 0.998 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.433 -1.127 1.792 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.879 -1.177 2.261 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.965 0.022 -1.295 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.648 1.022 -0.375 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.274 0.644 0.835 0.00 0.00 -0.013 A ATOM 32 C LIG 1 -6.887 1.640 1.620 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -6.889 2.977 1.224 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.279 3.346 0.032 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.666 2.378 -0.762 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -6.313 -0.745 1.309 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -7.300 -1.632 0.847 0.00 0.00 +0.011 A ATOM 38 C LIG 1 -7.334 -2.953 1.297 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -6.385 -3.389 2.214 0.00 0.00 +0.123 A ATOM 40 F LIG 1 -6.417 -4.656 2.646 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -5.403 -2.529 2.691 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -5.368 -1.208 2.241 0.00 0.00 +0.011 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5