REMARK Name = LIG000344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.981 -1.851 1.163 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.985 -1.006 0.587 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.670 -0.148 -0.258 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.020 0.839 -1.006 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.628 0.873 -0.817 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.990 -0.032 0.039 0.00 0.00 +0.074 A ATOM 7 N LIG 1 -4.981 -0.518 -0.132 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.784 -0.110 -0.594 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.639 -0.975 0.759 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -5.199 -1.544 0.708 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.465 0.015 0.264 0.00 0.00 +0.019 A ATOM 12 C LIG 1 1.413 -0.200 -0.762 0.00 0.00 +0.056 A ATOM 13 CL LIG 1 0.952 -0.581 -2.384 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 2.766 -0.129 -0.459 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.957 -0.342 -1.331 0.00 0.00 +0.146 C ATOM 16 N LIG 1 5.069 -0.041 -0.439 0.00 0.00 -0.282 N ATOM 17 C LIG 1 4.646 0.149 0.867 0.00 0.00 +0.248 C ATOM 18 O LIG 1 5.319 0.282 1.869 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 3.180 0.142 0.842 0.00 0.00 +0.043 A ATOM 20 C LIG 1 2.296 0.338 1.882 0.00 0.00 +0.014 A ATOM 21 C LIG 1 0.934 0.271 1.583 0.00 0.00 +0.012 A BRANCH 16 22 ATOM 22 C LIG 1 6.447 -0.336 -0.819 0.00 0.00 +0.163 C ATOM 23 C LIG 1 6.836 -1.768 -0.421 0.00 0.00 +0.240 C ATOM 24 O LIG 1 6.035 -2.702 -0.380 0.00 0.00 -0.273 OA ATOM 25 N LIG 1 8.178 -1.995 -0.220 0.00 0.00 -0.255 N ATOM 26 H LIG 1 8.436 -2.944 0.015 0.00 0.00 +0.158 HD ATOM 27 C LIG 1 9.216 -1.113 -0.385 0.00 0.00 +0.219 C ATOM 28 O LIG 1 10.383 -1.484 -0.293 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 8.850 0.300 -0.776 0.00 0.00 +0.098 C ATOM 30 C LIG 1 7.462 0.668 -0.276 0.00 0.00 +0.041 C ENDBRANCH 16 22 ENDBRANCH 6 11 BRANCH 1 31 ATOM 31 N LIG 1 -3.678 -2.827 2.052 0.00 0.00 -0.324 N ATOM 32 H LIG 1 -2.692 -3.051 2.162 0.00 0.00 +0.148 HD BRANCH 31 34 ATOM 33 C LIG 1 -4.478 -5.003 1.281 0.00 0.00 +0.027 C ATOM 34 C LIG 1 -4.606 -3.910 2.340 0.00 0.00 +0.066 C ATOM 35 C LIG 1 -4.286 -4.470 3.725 0.00 0.00 +0.027 C ENDBRANCH 31 34 ENDBRANCH 1 31 BRANCH 4 36 ATOM 36 C LIG 1 -3.701 1.816 -1.930 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 N LIG 1 -3.576 3.199 -1.469 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -4.093 4.154 -2.450 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -4.197 5.443 -1.650 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.373 4.998 -0.202 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -4.325 3.478 -0.242 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 6