REMARK Name = LIG000233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.069 -0.912 0.644 0.00 0.00 +0.248 C ATOM 2 N LIG 1 0.388 0.215 1.066 0.00 0.00 -0.281 N ATOM 3 H LIG 1 0.909 0.889 1.613 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.596 -1.900 0.095 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.985 0.497 0.900 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.868 -0.337 0.201 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -3.198 0.042 0.095 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.335 -0.664 -0.561 0.00 0.00 +0.144 C ATOM 9 N LIG 1 -5.431 0.285 -0.409 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -5.077 1.359 0.395 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -5.784 2.249 0.825 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.643 1.227 0.670 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -2.805 2.072 1.368 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -1.463 1.697 1.478 0.00 0.00 +0.024 A BRANCH 9 15 ATOM 15 C LIG 1 -6.805 -0.086 -0.729 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -7.507 -0.719 0.483 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -6.920 -1.371 1.345 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -8.879 -0.620 0.503 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -9.341 -1.065 1.284 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -9.700 -0.073 -0.451 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -10.921 -0.166 -0.362 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -9.025 0.558 -1.646 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -7.637 1.066 -1.290 0.00 0.00 +0.041 C ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 28 ATOM 24 C LIG 1 4.663 0.228 1.066 0.00 0.00 +0.163 A ATOM 25 C LIG 1 5.261 -0.963 1.499 0.00 0.00 +0.170 A ATOM 26 C LIG 1 4.495 -2.121 1.652 0.00 0.00 +0.051 A ATOM 27 C LIG 1 3.133 -2.096 1.351 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.528 -0.903 0.934 0.00 0.00 +0.041 A ATOM 29 C LIG 1 3.294 0.262 0.788 0.00 0.00 +0.062 A BRANCH 24 31 ATOM 30 C LIG 1 5.476 1.904 -0.315 0.00 0.00 +0.277 C ATOM 31 O LIG 1 5.413 1.373 1.008 0.00 0.00 -0.491 OA ENDBRANCH 24 31 BRANCH 25 32 ATOM 32 O LIG 1 6.591 -1.036 1.843 0.00 0.00 -0.452 OA BRANCH 32 33 ATOM 33 C LIG 1 7.502 -0.883 0.820 0.00 0.00 +0.129 A ATOM 34 C LIG 1 7.364 -1.496 -0.428 0.00 0.00 +0.046 A ATOM 35 C LIG 1 8.347 -1.312 -1.403 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.469 -0.531 -1.126 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.615 0.064 0.128 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.635 -0.119 1.103 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 1 28 TORSDOF 6