REMARK Name = LIG001541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.113 0.610 -2.200 0.00 0.00 -0.298 N ATOM 2 H LIG 1 0.802 0.352 -2.900 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.585 0.438 -0.878 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.941 0.123 -0.681 0.00 0.00 +0.051 A ATOM 5 C LIG 1 2.399 -0.014 0.615 0.00 0.00 +0.072 A ATOM 6 N LIG 1 3.677 -0.331 1.097 0.00 0.00 -0.292 N ATOM 7 C LIG 1 3.654 -0.308 2.509 0.00 0.00 +0.330 A ATOM 8 N LIG 1 2.324 -0.012 2.874 0.00 0.00 -0.295 N ATOM 9 C LIG 1 1.836 0.128 4.215 0.00 0.00 +0.154 C ATOM 10 O LIG 1 4.600 -0.496 3.259 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 1.563 0.176 1.714 0.00 0.00 +0.070 A ATOM 12 C LIG 1 0.238 0.513 1.563 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.240 0.653 0.253 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 4.857 -0.531 0.291 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.562 0.794 -0.017 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 6.772 0.653 -0.956 0.00 0.00 +0.062 C ATOM 17 C LIG 1 7.861 -0.253 -0.378 0.00 0.00 +0.041 C ATOM 18 C LIG 1 7.351 2.039 -1.260 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 6.317 0.085 -2.188 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 7.081 0.026 -2.788 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 -3.414 -0.228 -2.422 0.00 0.00 +0.220 A ATOM 22 N LIG 1 -2.173 -0.077 -1.932 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 -1.196 0.424 -2.718 0.00 0.00 +0.147 A ATOM 24 C LIG 1 -1.462 0.795 -4.028 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 -0.270 1.427 -5.093 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 -2.754 0.616 -4.455 0.00 0.00 +0.137 A ATOM 27 N LIG 1 -3.734 0.112 -3.679 0.00 0.00 -0.221 NA BRANCH 21 34 ATOM 28 C LIG 1 -5.410 -0.768 0.617 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -6.401 -1.813 0.137 0.00 0.00 +0.257 C ATOM 30 F LIG 1 -7.646 -1.440 0.548 0.00 0.00 -0.205 F ATOM 31 F LIG 1 -6.159 -3.006 0.748 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.426 -2.053 -1.362 0.00 0.00 +0.095 C ATOM 33 C LIG 1 -5.743 -0.922 -2.113 0.00 0.00 +0.114 C ATOM 34 N LIG 1 -4.389 -0.760 -1.605 0.00 0.00 -0.299 N ATOM 35 C LIG 1 -4.114 -0.892 -0.175 0.00 0.00 +0.119 C BRANCH 28 36 ATOM 36 C LIG 1 -5.177 -0.897 2.123 0.00 0.00 +0.170 C BRANCH 36 38 ATOM 37 C LIG 1 -4.920 1.341 2.896 0.00 0.00 +0.194 C ATOM 38 O LIG 1 -4.279 0.104 2.609 0.00 0.00 -0.382 OA ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 21 34 ENDBRANCH 1 23 TORSDOF 9