REMARK Name = LIG000799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.913 -2.579 -1.349 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.683 -1.791 -1.748 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.553 -2.447 -1.863 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.696 -1.747 -2.255 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.612 -0.380 -2.535 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -0.380 0.276 -2.468 0.00 0.00 +0.013 A ATOM 7 C LIG 1 0.761 -0.427 -2.074 0.00 0.00 +0.008 A BRANCH 5 8 ATOM 8 C LIG 1 -2.805 0.382 -2.970 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -3.950 0.345 -2.181 0.00 0.00 -0.295 N ATOM 10 C LIG 1 -3.987 -0.103 -0.782 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -5.038 0.642 0.064 0.00 0.00 +0.124 C ATOM 12 N LIG 1 -6.377 0.543 -0.540 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -6.444 0.510 -2.016 0.00 0.00 +0.124 C ATOM 14 C LIG 1 -5.149 1.030 -2.667 0.00 0.00 +0.127 C ATOM 15 O LIG 1 -2.731 1.018 -4.019 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -7.531 0.692 0.215 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -8.783 0.271 -0.268 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -9.955 0.405 0.488 0.00 0.00 +0.022 A ATOM 19 C LIG 1 -9.898 0.967 1.756 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 -11.331 1.133 2.692 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -8.680 1.394 2.268 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -7.514 1.254 1.503 0.00 0.00 +0.024 A ENDBRANCH 12 16 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 2.927 -1.787 -0.723 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 5.947 0.066 1.690 0.00 0.00 -0.281 N ATOM 25 C LIG 1 5.192 0.083 2.851 0.00 0.00 +0.248 C ATOM 26 O LIG 1 5.495 0.539 3.938 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 3.918 -0.573 2.541 0.00 0.00 +0.045 A ATOM 28 C LIG 1 3.917 -0.903 1.187 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.826 -1.532 0.613 0.00 0.00 +0.126 A ATOM 30 C LIG 1 1.734 -1.819 1.441 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.750 -1.483 2.811 0.00 0.00 +0.004 A ATOM 32 C LIG 1 2.855 -0.850 3.376 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.197 -0.466 0.556 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 10.199 2.625 -0.615 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 9.351 2.119 0.115 0.00 0.00 +0.219 C ATOM 36 N LIG 1 8.152 2.744 0.350 0.00 0.00 -0.255 N ATOM 37 H LIG 1 8.009 3.598 -0.173 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 6.996 2.139 0.792 0.00 0.00 +0.240 C ATOM 39 O LIG 1 5.905 2.662 0.577 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 7.191 0.815 1.550 0.00 0.00 +0.163 C ATOM 41 C LIG 1 8.280 -0.008 0.868 0.00 0.00 +0.041 C ATOM 42 C LIG 1 9.567 0.797 0.812 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 6