REMARK Name = LIG000363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.808 0.398 1.117 0.00 0.00 +0.030 C ATOM 2 C LIG 1 -0.464 -0.126 0.594 0.00 0.00 +0.026 C ATOM 3 C LIG 1 0.323 0.969 -0.121 0.00 0.00 +0.108 C ATOM 4 N LIG 1 0.452 2.187 0.683 0.00 0.00 -0.301 N ATOM 5 C LIG 1 1.461 3.129 0.454 0.00 0.00 +0.216 C ATOM 6 O LIG 1 1.359 4.299 0.823 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -0.783 2.695 1.278 0.00 0.00 +0.108 C ATOM 8 C LIG 1 -1.562 1.613 2.016 0.00 0.00 +0.026 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -2.579 -0.692 1.877 0.00 0.00 +0.232 C BRANCH 9 10 ATOM 10 O LIG 1 -2.903 -1.792 1.026 0.00 0.00 -0.492 OA BRANCH 10 14 ATOM 11 C LIG 1 -6.410 -1.912 -1.287 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -5.526 -2.995 -1.179 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -4.369 -2.905 -0.394 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.064 -1.739 0.306 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.925 -0.652 0.203 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -6.078 -0.737 -0.587 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -7.392 -1.105 -3.412 0.00 0.00 +0.021 C ATOM 18 C LIG 1 -7.694 -1.954 -2.150 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -8.055 -3.373 -2.661 0.00 0.00 +0.021 C BRANCH 18 20 ATOM 20 C LIG 1 -8.918 -1.454 -1.343 0.00 0.00 -0.037 A ATOM 21 C LIG 1 -9.241 -2.065 -0.117 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -10.323 -1.624 0.648 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -11.127 -0.574 0.208 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -10.819 0.049 -0.997 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -9.732 -0.391 -1.768 0.00 0.00 +0.008 A BRANCH 23 26 ATOM 26 O LIG 1 -12.117 -0.209 1.073 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 -13.295 0.406 0.545 0.00 0.00 +0.261 C BRANCH 27 28 ATOM 28 C LIG 1 -13.713 1.558 1.468 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 C LIG 1 -12.643 2.654 1.595 0.00 0.00 +0.143 C ATOM 30 CL LIG 1 -12.344 3.510 0.058 0.00 0.00 -0.123 Cl ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 O LIG 1 -14.971 2.089 1.032 0.00 0.00 -0.387 OA ATOM 32 H LIG 1 -15.124 2.934 1.491 0.00 0.00 +0.210 HD ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 18 20 ENDBRANCH 11 18 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 5 33 ATOM 33 C LIG 1 2.709 2.633 -0.266 0.00 0.00 +0.096 C BRANCH 33 34 ATOM 34 C LIG 1 3.828 3.674 -0.364 0.00 0.00 +0.010 C BRANCH 34 35 ATOM 35 C LIG 1 4.484 4.077 0.967 0.00 0.00 +0.013 C BRANCH 35 36 ATOM 36 C LIG 1 5.046 2.929 1.805 0.00 0.00 +0.089 C BRANCH 36 37 ATOM 37 C LIG 1 6.104 2.190 1.104 0.00 0.00 -0.097 C ATOM 38 C LIG 1 6.975 1.588 0.537 0.00 0.00 -0.066 C BRANCH 38 39 ATOM 39 C LIG 1 8.024 0.876 -0.125 0.00 0.00 +0.026 A ATOM 40 C LIG 1 9.234 0.656 0.542 0.00 0.00 +0.030 A ATOM 41 C LIG 1 10.213 -0.036 -0.144 0.00 0.00 +0.051 A ATOM 42 C LIG 1 11.554 -0.436 0.273 0.00 0.00 +0.255 C ATOM 43 N LIG 1 12.120 -1.090 -0.785 0.00 0.00 -0.222 N ATOM 44 C LIG 1 11.245 -1.191 -1.835 0.00 0.00 +0.254 C ATOM 45 O LIG 1 11.404 -1.722 -2.916 0.00 0.00 -0.270 OA ATOM 46 O LIG 1 12.012 -0.233 1.380 0.00 0.00 -0.270 OA ATOM 47 C LIG 1 10.021 -0.501 -1.431 0.00 0.00 +0.050 A ATOM 48 C LIG 1 8.837 -0.300 -2.112 0.00 0.00 +0.015 A ATOM 49 C LIG 1 7.827 0.403 -1.442 0.00 0.00 +0.017 A BRANCH 43 50 ATOM 50 C LIG 1 13.415 -1.756 -0.762 0.00 0.00 +0.171 C ATOM 51 C LIG 1 13.328 -2.949 0.192 0.00 0.00 +0.240 C ATOM 52 O LIG 1 12.370 -3.721 0.214 0.00 0.00 -0.273 OA ATOM 53 N LIG 1 14.385 -3.130 1.045 0.00 0.00 -0.255 N ATOM 54 H LIG 1 14.313 -3.943 1.642 0.00 0.00 +0.158 HD ATOM 55 C LIG 1 15.145 -2.127 1.585 0.00 0.00 +0.219 C ATOM 56 O LIG 1 15.819 -2.326 2.593 0.00 0.00 -0.275 OA ATOM 57 C LIG 1 15.050 -0.768 0.941 0.00 0.00 +0.098 C ATOM 58 C LIG 1 14.614 -0.840 -0.512 0.00 0.00 +0.041 C ENDBRANCH 43 50 ENDBRANCH 38 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 17