REMARK Name = LIG001926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.854 -0.203 -0.571 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.682 -0.780 -0.140 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.292 -0.011 0.624 0.00 0.00 +0.164 C ATOM 4 C LIG 1 1.088 -1.069 1.382 0.00 0.00 +0.065 C ATOM 5 C LIG 1 1.096 -2.252 0.414 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -0.276 -2.172 -0.264 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -2.127 0.966 -0.278 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.223 0.794 -0.305 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.900 1.813 0.334 0.00 0.00 -0.310 N ATOM 10 H LIG 1 1.798 1.930 1.333 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 1.403 0.508 -1.487 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.939 2.570 -0.325 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 4.296 2.066 0.092 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.019 2.702 1.108 0.00 0.00 +0.006 A ATOM 15 C LIG 1 6.266 2.209 1.507 0.00 0.00 +0.009 A ATOM 16 C LIG 1 6.821 1.066 0.908 0.00 0.00 -0.018 A ATOM 17 C LIG 1 6.084 0.431 -0.104 0.00 0.00 +0.009 A ATOM 18 C LIG 1 4.838 0.921 -0.505 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 8.133 0.550 1.329 0.00 0.00 -0.018 A ATOM 20 C LIG 1 8.399 0.261 2.679 0.00 0.00 +0.010 A ATOM 21 C LIG 1 9.646 -0.230 3.080 0.00 0.00 +0.020 A ATOM 22 C LIG 1 10.645 -0.435 2.132 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 12.179 -1.037 2.624 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 10.407 -0.157 0.790 0.00 0.00 +0.020 A ATOM 25 C LIG 1 9.159 0.333 0.392 0.00 0.00 +0.010 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 26 ATOM 26 O LIG 1 1.300 -3.471 1.110 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 0.556 -3.607 1.723 0.00 0.00 +0.210 HD ENDBRANCH 5 26 BRANCH 1 28 ATOM 28 C LIG 1 -2.839 -1.069 -1.398 0.00 0.00 +0.165 C BRANCH 28 30 ATOM 29 C LIG 1 -3.907 -1.597 -3.631 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -2.894 -0.680 -2.909 0.00 0.00 -0.011 C ATOM 31 C LIG 1 -3.319 0.782 -3.146 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -1.516 -0.897 -3.564 0.00 0.00 +0.013 C ENDBRANCH 28 30 BRANCH 28 33 ATOM 33 N LIG 1 -4.135 -0.921 -0.738 0.00 0.00 -0.299 N ATOM 34 H LIG 1 -4.557 0.004 -0.756 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 -4.473 -1.705 0.343 0.00 0.00 +0.251 C ATOM 36 O LIG 1 -3.831 -2.698 0.673 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -5.638 -1.262 1.083 0.00 0.00 +0.117 A ATOM 38 C LIG 1 -6.411 -0.131 0.895 0.00 0.00 +0.226 A ATOM 39 O LIG 1 -6.336 0.857 -0.005 0.00 0.00 -0.476 OA ATOM 40 C LIG 1 -7.126 2.021 0.282 0.00 0.00 +0.232 C ATOM 41 C LIG 1 -8.531 1.656 0.754 0.00 0.00 +0.064 C ATOM 42 C LIG 1 -8.436 0.796 2.006 0.00 0.00 +0.150 C ATOM 43 N LIG 1 -7.391 -0.193 1.850 0.00 0.00 -0.232 N ATOM 44 N LIG 1 -7.302 -1.250 2.670 0.00 0.00 -0.176 NA ATOM 45 C LIG 1 -6.236 -1.904 2.196 0.00 0.00 +0.151 A ENDBRANCH 35 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 9