REMARK Name = LIG000405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.772 -4.509 1.047 0.00 0.00 -0.315 N ATOM 2 C LIG 1 1.229 -3.321 0.645 0.00 0.00 +0.167 A ATOM 3 C LIG 1 2.291 -2.441 0.618 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.002 -1.127 0.226 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.713 -0.836 -0.090 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -0.258 -1.782 -0.029 0.00 0.00 +0.222 A ATOM 7 N LIG 1 3.461 -3.060 1.010 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -0.047 -3.060 0.338 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 3.110 -4.305 1.258 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.557 -1.411 -0.403 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -1.813 0.036 -0.309 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.203 0.386 -0.869 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -4.271 -0.452 -0.300 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -5.616 -0.076 -0.343 0.00 0.00 +0.248 C ATOM 15 O LIG 1 -6.542 -0.879 -0.426 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -3.993 -1.889 -0.379 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.609 -2.261 0.179 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -5.961 1.353 -0.256 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -5.461 2.148 0.766 0.00 0.00 +0.123 A ATOM 20 N LIG 1 -5.754 3.464 0.903 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 -6.613 3.990 0.000 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -7.189 3.265 -1.033 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -6.861 1.917 -1.159 0.00 0.00 +0.016 A ENDBRANCH 14 18 ENDBRANCH 6 10 BRANCH 1 25 ATOM 24 C LIG 1 0.930 -6.543 -0.057 0.00 0.00 +0.027 C ATOM 25 C LIG 1 1.058 -5.753 1.233 0.00 0.00 +0.121 C ENDBRANCH 1 25 BRANCH 4 26 ATOM 26 N LIG 1 3.006 -0.150 0.142 0.00 0.00 -0.320 N ATOM 27 H LIG 1 3.810 -0.478 0.680 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 2.560 1.182 0.535 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 3.618 2.224 0.340 0.00 0.00 +0.125 A ATOM 30 N LIG 1 4.407 2.231 -0.785 0.00 0.00 -0.341 N ATOM 31 H LIG 1 4.351 1.545 -1.526 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 5.275 3.287 -0.694 0.00 0.00 +0.068 A ATOM 33 C LIG 1 4.959 3.887 0.519 0.00 0.00 +0.091 A ATOM 34 C LIG 1 5.671 5.021 0.934 0.00 0.00 +0.051 A ATOM 35 C LIG 1 6.688 5.515 0.104 0.00 0.00 +0.061 A ATOM 36 C LIG 1 6.988 4.890 -1.116 0.00 0.00 +0.061 A ATOM 37 CL LIG 1 8.237 5.473 -2.164 0.00 0.00 -0.082 Cl ATOM 38 CL LIG 1 7.542 6.917 0.653 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 6.282 3.754 -1.541 0.00 0.00 +0.049 A ATOM 40 N LIG 1 3.936 3.220 1.144 0.00 0.00 -0.231 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6