REMARK Name = LIG000327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.228 -1.056 -1.325 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -1.341 -2.041 -1.238 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -1.066 -3.232 -1.286 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.600 -1.501 -1.100 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.856 -0.132 -1.150 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -4.022 0.269 -1.155 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.720 0.706 -1.202 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.433 0.224 -1.296 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.141 -0.491 -0.156 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.392 -1.812 -0.361 0.00 0.00 +0.122 C ATOM 11 N LIG 1 1.952 -1.580 -0.261 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.207 -1.506 -1.437 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.635 -1.745 -2.560 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.511 -1.045 1.024 0.00 0.00 +0.108 C ATOM 15 C LIG 1 2.198 0.296 1.282 0.00 0.00 +0.020 C ATOM 16 C LIG 1 3.721 0.170 1.167 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.632 -0.738 -0.166 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.166 -1.812 0.070 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 6.290 0.422 -0.449 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 8.290 0.536 0.910 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.723 0.337 -0.483 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -1.772 2.152 -1.167 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -2.940 2.878 -0.886 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -2.962 4.290 -0.852 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -4.256 4.994 -0.542 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -1.780 5.009 -1.093 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -1.751 6.512 -1.071 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -0.608 4.302 -1.371 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.607 2.903 -1.404 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -3.720 -2.426 -0.952 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.926 -2.856 0.494 0.00 0.00 -0.025 A ATOM 32 C LIG 1 -3.771 -4.192 0.928 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -3.412 -5.314 -0.010 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -3.955 -4.499 2.288 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.310 -3.514 3.208 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.492 -2.205 2.782 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.306 -1.881 1.439 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7