REMARK Name = LIG000434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.112 0.151 -0.431 0.00 0.00 +0.193 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -1.737 5.688 0.185 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -1.289 4.268 0.013 0.00 0.00 -0.050 A ATOM 4 C LIG 1 -0.220 3.958 -0.831 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.223 2.638 -0.962 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.388 1.592 -0.251 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -1.446 1.921 0.612 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -1.889 3.241 0.745 0.00 0.00 +0.004 A ENDBRANCH 1 6 BRANCH 1 9 ATOM 9 C LIG 1 -1.006 -0.944 -0.461 0.00 0.00 +0.239 C ATOM 10 N LIG 1 -2.126 -0.611 -1.210 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -2.238 0.372 -1.433 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -0.853 -2.061 0.034 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 -3.331 -1.446 -1.331 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.324 -0.711 -2.251 0.00 0.00 +0.031 C ATOM 15 C LIG 1 -3.993 -1.646 0.041 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -3.009 -2.807 -1.970 0.00 0.00 +0.031 C ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 17 ATOM 17 N LIG 1 1.264 -0.183 0.453 0.00 0.00 -0.274 N ATOM 18 C LIG 1 1.012 -0.215 1.831 0.00 0.00 +0.220 C ATOM 19 O LIG 1 -0.117 -0.053 2.296 0.00 0.00 -0.275 OA BRANCH 17 20 ATOM 20 C LIG 1 2.425 -0.891 -0.144 0.00 0.00 +0.164 C ATOM 21 C LIG 1 2.996 -0.298 -1.447 0.00 0.00 +0.240 C ATOM 22 O LIG 1 2.903 0.886 -1.761 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 3.724 -1.158 -2.237 0.00 0.00 -0.255 N ATOM 24 H LIG 1 4.136 -0.755 -3.068 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 3.997 -2.486 -2.021 0.00 0.00 +0.219 C ATOM 26 O LIG 1 4.729 -3.111 -2.782 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 3.414 -3.100 -0.773 0.00 0.00 +0.098 C ATOM 28 C LIG 1 2.141 -2.383 -0.350 0.00 0.00 +0.041 C ENDBRANCH 17 20 BRANCH 18 29 ATOM 29 C LIG 1 2.200 -0.414 2.783 0.00 0.00 +0.069 C ATOM 30 C LIG 1 1.718 -0.696 4.209 0.00 0.00 +0.017 C ATOM 31 C LIG 1 3.087 0.831 2.781 0.00 0.00 +0.017 C ENDBRANCH 18 29 ENDBRANCH 1 17 TORSDOF 6