REMARK Name = LIG001459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.738 -3.123 -2.084 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.282 -2.782 -1.882 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.579 -3.668 -1.223 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.926 -3.346 -1.046 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.438 -2.128 -1.516 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -1.575 -1.240 -2.172 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.228 -1.563 -2.349 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.905 -1.788 -1.338 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -4.356 -1.825 0.067 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -3.681 -0.801 0.893 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -3.981 0.669 0.505 0.00 0.00 +0.122 C ATOM 12 N LIG 1 -5.385 0.855 0.082 0.00 0.00 -0.313 N ATOM 13 C LIG 1 -6.306 -0.188 0.563 0.00 0.00 +0.122 C ATOM 14 C LIG 1 -5.825 -1.599 0.128 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -5.870 2.164 0.203 0.00 0.00 +0.121 A ATOM 16 N LIG 1 -7.072 2.374 0.789 0.00 0.00 -0.237 NA ATOM 17 C LIG 1 -7.531 3.647 0.882 0.00 0.00 +0.151 A ATOM 18 C LIG 1 -6.845 4.744 0.406 0.00 0.00 +0.142 A ATOM 19 F LIG 1 -7.351 5.977 0.525 0.00 0.00 -0.204 F ATOM 20 C LIG 1 -5.624 4.542 -0.206 0.00 0.00 +0.043 A ATOM 21 C LIG 1 -5.135 3.240 -0.312 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 O LIG 1 2.515 -2.266 -1.248 0.00 0.00 -0.487 OA BRANCH 22 28 ATOM 23 N LIG 1 5.347 0.121 0.907 0.00 0.00 -0.281 N ATOM 24 C LIG 1 6.468 -0.440 0.314 0.00 0.00 +0.248 C ATOM 25 O LIG 1 7.635 -0.144 0.487 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 5.989 -1.490 -0.591 0.00 0.00 +0.045 A ATOM 27 C LIG 1 4.596 -1.480 -0.569 0.00 0.00 +0.024 A ATOM 28 C LIG 1 3.870 -2.369 -1.342 0.00 0.00 +0.126 A ATOM 29 C LIG 1 4.587 -3.276 -2.133 0.00 0.00 +0.046 A ATOM 30 C LIG 1 5.998 -3.275 -2.145 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.717 -2.369 -1.366 0.00 0.00 +0.013 A ATOM 32 C LIG 1 4.108 -0.408 0.347 0.00 0.00 +0.148 C BRANCH 23 39 ATOM 33 O LIG 1 3.932 4.872 3.234 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 4.459 3.847 2.811 0.00 0.00 +0.219 C ATOM 35 N LIG 1 4.905 3.762 1.517 0.00 0.00 -0.255 N ATOM 36 H LIG 1 4.688 4.566 0.943 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 5.114 2.596 0.815 0.00 0.00 +0.240 C ATOM 38 O LIG 1 5.048 2.594 -0.412 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 5.416 1.357 1.676 0.00 0.00 +0.163 C ATOM 40 C LIG 1 4.478 1.348 2.880 0.00 0.00 +0.041 C ATOM 41 C LIG 1 4.668 2.628 3.679 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 7