REMARK Name = LIG000051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.734 -0.359 -3.068 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.016 0.612 -2.087 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -2.196 0.509 -1.372 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -2.723 1.370 -0.275 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.033 0.787 -0.012 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.225 -0.392 -0.718 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.138 -1.189 -0.626 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.079 -0.538 -1.621 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.833 -1.513 -2.568 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.645 -1.418 -3.296 0.00 0.00 +0.006 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.824 1.192 1.144 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -4.471 0.351 2.381 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -3.355 -0.123 2.586 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -5.455 0.246 3.338 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -5.210 -0.280 4.166 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.690 0.843 3.348 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.423 0.766 4.330 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.055 1.668 2.136 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.331 1.173 0.893 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.560 -0.286 -3.843 0.00 0.00 +0.139 C BRANCH 20 22 ATOM 21 C LIG 1 2.489 0.072 -2.362 0.00 0.00 +0.244 C ATOM 22 N LIG 1 1.661 -0.783 -3.047 0.00 0.00 -0.307 N ATOM 23 H LIG 1 1.629 -1.761 -2.803 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 2.407 1.294 -2.447 0.00 0.00 -0.270 OA BRANCH 21 28 ATOM 25 C LIG 1 5.441 0.102 1.592 0.00 0.00 +0.131 A ATOM 26 C LIG 1 4.996 -0.501 0.398 0.00 0.00 +0.059 A ATOM 27 C LIG 1 4.000 0.130 -0.470 0.00 0.00 +0.027 C ATOM 28 C LIG 1 3.496 -0.586 -1.485 0.00 0.00 +0.052 C ATOM 29 C LIG 1 3.949 -1.984 -1.757 0.00 0.00 +0.269 C ATOM 30 O LIG 1 5.193 -2.375 -1.155 0.00 0.00 -0.486 OA ATOM 31 C LIG 1 5.543 -1.730 0.001 0.00 0.00 +0.132 A ATOM 32 C LIG 1 6.532 -2.347 0.765 0.00 0.00 +0.046 A ATOM 33 C LIG 1 6.968 -1.754 1.946 0.00 0.00 +0.007 A ATOM 34 C LIG 1 6.423 -0.536 2.360 0.00 0.00 +0.046 A BRANCH 25 36 ATOM 35 C LIG 1 5.316 1.951 3.103 0.00 0.00 +0.277 C ATOM 36 O LIG 1 4.860 1.301 1.925 0.00 0.00 -0.494 OA ENDBRANCH 25 36 ENDBRANCH 21 28 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5