REMARK Name = LIG001871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.676 -1.808 1.809 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.573 -1.237 1.774 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -0.953 0.079 1.297 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -2.463 0.175 1.037 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.227 -0.380 2.171 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.948 -1.829 2.303 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.484 -2.141 2.261 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -0.890 -3.269 2.593 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.440 -3.073 2.319 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.831 -0.531 -1.026 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.513 0.438 -0.083 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.128 1.452 0.184 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.260 0.018 0.552 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.824 -1.145 -0.080 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.649 -1.759 0.321 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.914 -1.181 1.371 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.380 -0.005 2.001 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.565 0.610 1.589 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.774 -1.525 -1.164 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.514 -0.762 -5.779 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.112 -0.546 -4.640 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.107 0.357 -4.402 0.00 0.00 -0.255 N ATOM 23 H LIG 1 6.696 0.754 -5.237 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.265 0.337 -3.313 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.128 0.799 -3.398 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.853 -0.301 -2.040 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.595 -1.579 -2.425 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.688 -1.245 -3.431 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.679 -0.175 2.009 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.098 1.278 2.154 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.778 1.984 1.135 0.00 0.00 -0.013 A ATOM 32 C LIG 1 -6.133 3.328 1.361 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.836 3.962 2.567 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.174 3.266 3.570 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.808 1.937 3.366 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -6.125 1.375 -0.155 0.00 0.00 -0.016 A ATOM 37 C LIG 1 -5.263 1.495 -1.256 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -5.593 0.908 -2.477 0.00 0.00 +0.042 A ATOM 39 CL LIG 1 -4.515 1.057 -3.811 0.00 0.00 -0.084 Cl ATOM 40 C LIG 1 -6.783 0.200 -2.623 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -7.653 0.080 -1.540 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -7.326 0.666 -0.314 0.00 0.00 +0.008 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5