REMARK Name = LIG001809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.649 -2.753 0.609 0.00 0.00 +0.025 A ATOM 2 C LIG 1 4.888 -1.430 1.015 0.00 0.00 +0.038 A ATOM 3 C LIG 1 3.796 -0.555 1.111 0.00 0.00 +0.049 A ATOM 4 N LIG 1 3.754 0.765 1.492 0.00 0.00 -0.339 N ATOM 5 H LIG 1 4.545 1.323 1.776 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 2.474 1.234 1.450 0.00 0.00 +0.145 A ATOM 7 C LIG 1 1.647 0.213 1.012 0.00 0.00 +0.066 A ATOM 8 C LIG 1 0.281 0.527 0.882 0.00 0.00 +0.132 A ATOM 9 N LIG 1 -0.114 1.778 1.230 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 0.797 2.686 1.652 0.00 0.00 +0.138 A ATOM 11 N LIG 1 2.123 2.482 1.782 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 2.484 -0.937 0.814 0.00 0.00 +0.012 A ATOM 13 C LIG 1 2.259 -2.272 0.418 0.00 0.00 +0.011 A ATOM 14 C LIG 1 3.341 -3.160 0.318 0.00 0.00 +0.012 A ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 7.346 -6.707 -0.106 0.00 0.00 +0.199 C ATOM 16 N LIG 1 6.931 -5.362 0.184 0.00 0.00 -0.166 N ATOM 17 N LIG 1 5.645 -4.979 0.120 0.00 0.00 -0.131 NA ATOM 18 C LIG 1 5.760 -3.692 0.498 0.00 0.00 +0.205 A ATOM 19 N LIG 1 7.064 -3.344 0.778 0.00 0.00 -0.108 NA ATOM 20 N LIG 1 7.804 -4.425 0.578 0.00 0.00 -0.046 NA ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 N LIG 1 -0.661 -0.395 0.412 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -0.227 -1.042 -0.238 0.00 0.00 +0.147 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.908 0.184 -0.072 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 -2.819 -0.931 -0.588 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -4.155 -0.357 -1.074 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 N LIG 1 -5.009 -1.397 -1.675 0.00 0.00 -0.302 NA ATOM 27 C LIG 1 -5.645 -2.263 -0.668 0.00 0.00 +0.084 C ATOM 28 C LIG 1 -6.909 -1.540 -0.220 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -7.217 -0.550 -1.334 0.00 0.00 +0.017 C ATOM 30 C LIG 1 -6.152 -0.803 -2.389 0.00 0.00 +0.084 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 10 31 ATOM 31 C LIG 1 0.276 4.061 1.998 0.00 0.00 +0.111 C BRANCH 31 32 ATOM 32 C LIG 1 0.197 4.992 0.810 0.00 0.00 -0.040 A ATOM 33 C LIG 1 1.285 5.809 0.471 0.00 0.00 +0.004 A ATOM 34 C LIG 1 1.214 6.657 -0.635 0.00 0.00 +0.000 A ATOM 35 C LIG 1 0.060 6.693 -1.415 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.024 5.877 -1.094 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.955 5.028 0.011 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8