REMARK Name = LIG000323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.804 -0.641 -0.024 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.585 -1.392 1.121 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.415 -1.864 1.872 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.131 -1.479 1.297 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.526 -0.738 0.287 0.00 0.00 -0.016 A ATOM 6 C LIG 1 1.145 -0.642 0.223 0.00 0.00 +0.029 A ATOM 7 C LIG 1 0.372 -1.304 1.195 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.012 -2.041 2.212 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.407 -2.134 2.271 0.00 0.00 +0.015 A ATOM 10 C LIG 1 3.565 -0.140 -0.605 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.931 2.485 -1.890 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.150 1.659 -1.426 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.440 0.821 -2.247 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.563 0.986 -3.238 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.336 0.072 -1.908 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.603 -0.371 -2.789 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.134 -0.173 -0.404 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.504 1.096 0.367 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.940 1.487 0.058 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -1.030 -1.173 1.087 0.00 0.00 -0.281 N ATOM 21 H LIG 1 -1.359 -0.625 0.303 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -1.994 -1.781 1.873 0.00 0.00 +0.248 C ATOM 23 O LIG 1 -1.805 -2.595 2.769 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.400 -1.414 1.540 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.745 -0.126 1.113 0.00 0.00 +0.059 A ATOM 26 C LIG 1 -5.074 0.168 0.803 0.00 0.00 +0.129 A ATOM 27 C LIG 1 -6.068 -0.801 0.962 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -5.728 -2.079 1.406 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.398 -2.386 1.695 0.00 0.00 +0.013 A BRANCH 26 30 ATOM 30 O LIG 1 -5.344 1.462 0.418 0.00 0.00 -0.456 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.221 1.647 -0.626 0.00 0.00 +0.128 A ATOM 32 C LIG 1 -7.212 2.614 -0.458 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -8.112 2.874 -1.491 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.009 2.178 -2.696 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.003 1.228 -2.872 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.101 0.965 -1.840 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 5