REMARK Name = LIG000750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.490 -1.264 2.732 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.228 -0.480 2.442 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.648 -0.155 3.490 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.823 0.555 3.237 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.145 0.924 1.928 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.280 0.612 0.876 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -0.106 -0.100 1.132 0.00 0.00 +0.008 A BRANCH 5 8 ATOM 8 C LIG 1 -3.381 1.703 1.690 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -4.294 1.246 0.749 0.00 0.00 -0.295 N ATOM 10 C LIG 1 -4.312 -0.109 0.182 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -5.733 -0.612 -0.143 0.00 0.00 +0.124 C ATOM 12 N LIG 1 -6.456 0.327 -1.016 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -6.102 1.756 -0.906 0.00 0.00 +0.124 C ATOM 14 C LIG 1 -5.456 2.084 0.451 0.00 0.00 +0.127 C ATOM 15 O LIG 1 -3.544 2.730 2.344 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -7.467 -0.098 -1.863 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -7.885 0.678 -2.961 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -8.901 0.254 -3.825 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -9.522 -0.964 -3.602 0.00 0.00 +0.124 A ATOM 20 F LIG 1 -10.494 -1.376 -4.426 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -9.144 -1.760 -2.535 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -8.126 -1.327 -1.677 0.00 0.00 +0.026 A ENDBRANCH 12 16 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 2.575 -0.940 1.855 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 6.092 0.269 -0.284 0.00 0.00 -0.281 N ATOM 25 C LIG 1 6.360 1.366 0.515 0.00 0.00 +0.248 C ATOM 26 O LIG 1 7.309 2.124 0.453 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 5.287 1.437 1.512 0.00 0.00 +0.045 A ATOM 28 C LIG 1 4.437 0.349 1.315 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.338 0.154 2.135 0.00 0.00 +0.126 A ATOM 30 C LIG 1 3.113 1.095 3.147 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.983 2.190 3.334 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.093 2.368 2.511 0.00 0.00 +0.013 A ATOM 33 C LIG 1 4.913 -0.469 0.160 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 8.876 -2.996 -3.732 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 8.366 -2.135 -3.021 0.00 0.00 +0.219 C ATOM 36 N LIG 1 7.178 -1.544 -3.368 0.00 0.00 -0.255 N ATOM 37 H LIG 1 6.740 -1.913 -4.202 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 6.365 -0.775 -2.565 0.00 0.00 +0.240 C ATOM 39 O LIG 1 5.203 -0.552 -2.902 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 7.026 -0.215 -1.296 0.00 0.00 +0.163 C ATOM 41 C LIG 1 7.973 -1.263 -0.710 0.00 0.00 +0.041 C ATOM 42 C LIG 1 9.015 -1.650 -1.747 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 6