REMARK Name = LIG000019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.389 -2.361 1.821 0.00 0.00 +0.169 A ATOM 2 C LIG 1 2.758 -1.554 0.807 0.00 0.00 +0.131 A ATOM 3 C LIG 1 3.787 -0.854 0.195 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.565 0.046 -0.853 0.00 0.00 -0.004 A ATOM 5 C LIG 1 2.216 0.174 -1.220 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.212 -0.554 -0.574 0.00 0.00 +0.072 A ATOM 7 N LIG 1 4.914 -1.256 0.849 0.00 0.00 -0.273 N ATOM 8 H LIG 1 5.866 -0.954 0.680 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.457 -1.414 0.440 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 4.713 -2.147 1.828 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.216 -0.425 -0.946 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.217 -0.492 0.050 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.550 -0.372 -0.310 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.772 -0.386 0.543 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.847 -0.311 -0.437 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.363 -0.093 -1.719 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -4.988 0.150 -2.733 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -2.901 -0.188 -1.642 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -1.967 -0.118 -2.654 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.620 -0.242 -2.296 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.230 -0.087 -0.030 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.541 1.414 0.080 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -5.707 2.260 0.401 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.861 1.769 -0.082 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -8.069 2.752 0.025 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.941 0.942 -0.262 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.086 1.385 -0.250 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.652 -0.536 -0.378 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.255 -0.784 -0.925 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 31 ATOM 30 C LIG 1 1.310 -3.234 2.788 0.00 0.00 +0.130 C ATOM 31 N LIG 1 2.761 -3.236 2.670 0.00 0.00 -0.318 N ATOM 32 C LIG 1 3.505 -3.736 3.818 0.00 0.00 +0.130 C ENDBRANCH 1 31 BRANCH 4 33 ATOM 33 C LIG 1 4.641 0.837 -1.557 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 4.440 2.289 -1.442 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 4.701 2.798 -0.085 0.00 0.00 +0.085 C ATOM 36 C LIG 1 6.205 3.020 -0.003 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.662 3.173 -1.447 0.00 0.00 +0.017 C ATOM 38 C LIG 1 5.396 3.028 -2.280 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5