REMARK Name = LIG001464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.254 2.007 -0.921 0.00 0.00 +0.141 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 2.809 0.060 -1.050 0.00 0.00 -0.269 N ATOM 3 H LIG 1 2.408 -0.544 -1.751 0.00 0.00 +0.156 HD ATOM 4 C LIG 1 2.035 1.145 -0.699 0.00 0.00 +0.304 C ATOM 5 N LIG 1 0.767 1.030 -1.235 0.00 0.00 -0.295 N ATOM 6 H LIG 1 0.430 0.088 -1.359 0.00 0.00 +0.151 HD ATOM 7 O LIG 1 2.386 2.108 -0.031 0.00 0.00 -0.252 OA BRANCH 2 13 ATOM 8 C LIG 1 8.189 -1.269 0.446 0.00 0.00 +0.045 C ATOM 9 C LIG 1 6.782 -0.924 0.051 0.00 0.00 -0.032 A ATOM 10 C LIG 1 6.064 -1.680 -0.886 0.00 0.00 +0.046 A ATOM 11 CL LIG 1 6.760 -3.066 -1.650 0.00 0.00 -0.083 Cl ATOM 12 C LIG 1 4.753 -1.333 -1.233 0.00 0.00 +0.043 A ATOM 13 C LIG 1 4.132 -0.221 -0.654 0.00 0.00 +0.036 A ATOM 14 C LIG 1 4.840 0.531 0.283 0.00 0.00 +0.024 A ATOM 15 C LIG 1 6.151 0.184 0.631 0.00 0.00 +0.006 A ENDBRANCH 2 13 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 -1.138 1.511 0.195 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -2.323 0.815 -0.090 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.118 0.285 0.940 0.00 0.00 -0.035 A ATOM 19 C LIG 1 -2.716 0.484 2.269 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -1.541 1.176 2.561 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -0.752 1.681 1.530 0.00 0.00 +0.005 A BRANCH 18 22 ATOM 22 C LIG 1 -4.412 -0.458 0.649 0.00 0.00 +0.106 C ATOM 23 C LIG 1 -4.301 -1.498 -0.467 0.00 0.00 +0.227 C ATOM 24 O LIG 1 -3.265 -2.090 -0.762 0.00 0.00 -0.275 OA ATOM 25 N LIG 1 -5.470 -1.801 -1.129 0.00 0.00 -0.256 N ATOM 26 H LIG 1 -5.396 -2.503 -1.853 0.00 0.00 +0.157 HD ATOM 27 C LIG 1 -6.710 -1.236 -0.967 0.00 0.00 +0.219 C ATOM 28 O LIG 1 -7.666 -1.605 -1.643 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -6.839 -0.197 0.117 0.00 0.00 +0.097 C ATOM 30 C LIG 1 -5.527 0.542 0.326 0.00 0.00 +0.026 C ENDBRANCH 18 22 ENDBRANCH 1 16 TORSDOF 4