REMARK Name = LIG001059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.102 2.227 0.185 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.875 3.172 0.792 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.476 3.956 1.644 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.170 3.055 0.338 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.583 2.084 -0.574 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.754 2.073 -0.962 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.589 1.172 -0.992 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.262 1.293 -0.637 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 3.317 -1.214 1.202 0.00 0.00 +0.101 C ATOM 10 C LIG 1 4.051 0.065 0.763 0.00 0.00 +0.033 C ATOM 11 C LIG 1 3.545 1.283 1.533 0.00 0.00 +0.109 C ATOM 12 N LIG 1 2.098 1.379 1.402 0.00 0.00 -0.296 N ATOM 13 C LIG 1 1.573 2.309 0.504 0.00 0.00 +0.272 C ATOM 14 O LIG 1 2.222 3.173 -0.076 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 1.363 0.225 1.912 0.00 0.00 +0.109 C ATOM 16 C LIG 1 1.789 -1.029 1.154 0.00 0.00 +0.033 C BRANCH 9 17 ATOM 17 C LIG 1 3.745 -2.378 0.329 0.00 0.00 +0.310 C ATOM 18 O LIG 1 3.039 -2.933 -0.499 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 5.037 -2.713 0.611 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 6.148 -3.285 -1.462 0.00 0.00 +0.048 C ATOM 21 C LIG 1 5.581 -3.800 -0.153 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -1.836 0.028 -1.844 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -0.758 -0.759 -2.301 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -0.933 -1.902 -3.106 0.00 0.00 -0.046 A ATOM 25 C LIG 1 0.275 -2.689 -3.537 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -2.230 -2.278 -3.487 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -2.481 -3.486 -4.346 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -3.310 -1.509 -3.043 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.116 -0.380 -2.234 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -3.166 3.957 0.896 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.789 3.402 2.160 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -4.907 2.557 2.093 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.467 2.026 3.256 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.915 2.331 4.499 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.802 3.166 4.579 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.240 3.697 3.417 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7