REMARK Name = LIG000387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.224 2.345 0.430 0.00 0.00 +0.260 A ATOM 2 C LIG 1 -3.086 1.630 -0.013 0.00 0.00 +0.152 A ATOM 3 C LIG 1 -3.600 0.566 -0.740 0.00 0.00 +0.092 A ATOM 4 C LIG 1 -2.775 -0.380 -1.355 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.401 -0.157 -1.153 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.937 0.927 -0.398 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.960 0.716 -0.672 0.00 0.00 -0.272 N ATOM 8 H LIG 1 -5.668 0.120 -1.083 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.760 1.839 0.168 0.00 0.00 -0.240 NA ATOM 10 N LIG 1 -5.372 1.789 0.029 0.00 0.00 -0.133 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.508 1.161 -0.166 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.414 0.090 0.005 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.757 0.361 0.220 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.896 -0.584 0.428 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.022 0.321 0.627 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.659 1.652 0.498 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.384 2.628 0.521 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.210 1.676 0.275 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.369 2.757 0.120 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.014 2.488 -0.096 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.418 -0.106 0.657 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.683 -1.426 1.401 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.903 -1.946 2.195 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.902 -2.016 1.152 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.067 -2.887 1.638 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.733 -1.775 0.088 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.654 -2.541 -0.180 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.472 -0.515 -0.700 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.986 -0.203 -0.760 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 O LIG 1 -4.206 3.470 1.182 0.00 0.00 -0.471 OA BRANCH 30 32 ATOM 31 C LIG 1 -6.017 3.364 2.793 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -5.480 4.024 1.525 0.00 0.00 +0.169 C ATOM 33 C LIG 1 -5.254 5.514 1.772 0.00 0.00 +0.051 C ENDBRANCH 30 32 ENDBRANCH 1 30 BRANCH 4 34 ATOM 34 C LIG 1 -3.256 -1.560 -2.162 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -2.878 -2.838 -1.560 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -3.209 -3.972 -2.426 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -3.069 -5.165 -1.494 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -3.334 -4.611 -0.099 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -3.565 -3.119 -0.297 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6