REMARK Name = LIG000153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.605 -4.122 1.703 0.00 0.00 -0.315 N ATOM 2 C LIG 1 2.074 -3.181 0.865 0.00 0.00 +0.167 A ATOM 3 C LIG 1 3.025 -3.010 -0.120 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.725 -2.075 -1.119 0.00 0.00 +0.152 A ATOM 5 N LIG 1 1.535 -1.415 -1.024 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 0.661 -1.685 -0.025 0.00 0.00 +0.222 A ATOM 7 N LIG 1 4.124 -3.813 0.109 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 0.895 -2.556 0.972 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 3.834 -4.470 1.212 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -0.521 -0.958 0.005 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -0.919 -0.258 -1.217 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.018 0.779 -0.905 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -3.110 0.263 -0.071 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -4.301 0.939 0.143 0.00 0.00 +0.236 C ATOM 15 O LIG 1 -5.277 0.389 0.668 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -3.002 -1.139 0.330 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -1.598 -1.504 0.850 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -4.358 2.447 -0.197 0.00 0.00 +0.156 C ATOM 19 C LIG 1 -3.874 3.251 1.002 0.00 0.00 +0.038 C BRANCH 18 20 ATOM 20 N LIG 1 -5.745 2.782 -0.510 0.00 0.00 -0.304 N ATOM 21 H LIG 1 -6.414 2.519 0.207 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 -6.192 2.670 -1.808 0.00 0.00 +0.211 C ATOM 23 O LIG 1 -5.450 2.476 -2.767 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 -7.683 2.799 -1.959 0.00 0.00 +0.109 C ENDBRANCH 18 20 ENDBRANCH 14 18 ENDBRANCH 6 10 BRANCH 1 26 ATOM 25 C LIG 1 1.040 -5.789 2.617 0.00 0.00 +0.027 C ATOM 26 C LIG 1 1.988 -4.639 2.905 0.00 0.00 +0.121 C ENDBRANCH 1 26 BRANCH 4 27 ATOM 27 N LIG 1 3.616 -1.796 -2.154 0.00 0.00 -0.320 N ATOM 28 H LIG 1 4.560 -2.092 -1.910 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 3.534 -0.490 -2.790 0.00 0.00 +0.177 C BRANCH 29 30 ATOM 30 C LIG 1 3.914 0.684 -1.938 0.00 0.00 +0.125 A ATOM 31 N LIG 1 3.126 1.088 -0.886 0.00 0.00 -0.341 N ATOM 32 H LIG 1 2.277 0.619 -0.596 0.00 0.00 +0.167 HD ATOM 33 C LIG 1 3.719 2.171 -0.294 0.00 0.00 +0.068 A ATOM 34 C LIG 1 4.871 2.382 -1.041 0.00 0.00 +0.091 A ATOM 35 C LIG 1 5.730 3.435 -0.700 0.00 0.00 +0.051 A ATOM 36 C LIG 1 5.396 4.245 0.395 0.00 0.00 +0.061 A ATOM 37 C LIG 1 4.228 4.008 1.136 0.00 0.00 +0.061 A ATOM 38 CL LIG 1 3.786 4.986 2.494 0.00 0.00 -0.082 Cl ATOM 39 CL LIG 1 6.484 5.534 0.783 0.00 0.00 -0.082 Cl ATOM 40 C LIG 1 3.360 2.956 0.803 0.00 0.00 +0.049 A ATOM 41 N LIG 1 4.976 1.459 -2.052 0.00 0.00 -0.231 NA ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 4 27 TORSDOF 7