REMARK Name = LIG001211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.595 -0.468 -3.091 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.416 0.165 -2.312 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.368 -0.375 -4.082 0.00 0.00 +0.234 C ATOM 4 O LIG 1 0.429 -1.035 -5.113 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -3.475 -0.963 0.186 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.267 -1.876 -0.491 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.312 -2.383 -0.134 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.616 -2.128 -1.782 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -2.502 -1.293 -1.884 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.702 -1.326 -3.018 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -2.058 -2.226 -4.033 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -3.189 -3.060 -3.912 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.987 -3.015 -2.772 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.403 -0.452 -0.654 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -6.431 1.182 4.312 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.717 0.689 3.444 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -5.744 1.161 2.155 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -6.403 1.905 1.971 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -4.911 0.822 1.114 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -4.949 1.453 0.058 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -3.874 -0.273 1.409 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -4.377 -1.206 2.509 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -4.705 -0.391 3.750 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 1.411 0.709 -3.763 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.330 1.138 -2.349 0.00 0.00 -0.320 N ATOM 26 H LIG 1 1.497 2.143 -2.258 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.278 0.565 -1.495 0.00 0.00 +0.124 A ATOM 28 N LIG 1 2.950 1.440 -0.735 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 3.856 0.963 0.138 0.00 0.00 +0.221 A ATOM 30 N LIG 1 4.108 -0.343 0.288 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 3.408 -1.196 -0.476 0.00 0.00 +0.118 A ATOM 32 C LIG 1 2.467 -0.793 -1.389 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 4.518 1.928 0.885 0.00 0.00 -0.281 N ATOM 34 H LIG 1 4.191 2.851 0.633 0.00 0.00 +0.155 HD BRANCH 33 35 ATOM 35 C LIG 1 5.509 1.892 1.874 0.00 0.00 +0.069 A ATOM 36 C LIG 1 5.946 3.108 2.430 0.00 0.00 +0.144 A ATOM 37 F LIG 1 5.403 4.257 1.995 0.00 0.00 -0.204 F ATOM 38 C LIG 1 6.926 3.166 3.419 0.00 0.00 +0.040 A ATOM 39 C LIG 1 7.500 1.988 3.882 0.00 0.00 +0.003 A ATOM 40 C LIG 1 7.087 0.767 3.351 0.00 0.00 +0.002 A ATOM 41 C LIG 1 6.101 0.721 2.356 0.00 0.00 +0.026 A ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7