REMARK Name = LIG001683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.873 -2.196 -0.798 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.382 -1.720 -0.372 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.592 -2.127 -0.972 0.00 0.00 -0.028 A ATOM 4 C LIG 1 1.540 -3.019 -2.058 0.00 0.00 -0.046 A ATOM 5 C LIG 1 2.779 -3.479 -2.777 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.293 -3.506 -2.480 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.894 -3.101 -1.861 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.126 -1.689 -0.085 0.00 0.00 +0.060 C BRANCH 8 15 ATOM 9 C LIG 1 -2.353 2.068 0.770 0.00 0.00 +0.147 A ATOM 10 C LIG 1 -2.540 2.573 -0.522 0.00 0.00 +0.130 A ATOM 11 C LIG 1 -2.616 1.773 -1.654 0.00 0.00 +0.117 A ATOM 12 N LIG 1 -2.816 2.551 -2.762 0.00 0.00 -0.129 NA ATOM 13 N LIG 1 -2.867 3.817 -2.371 0.00 0.00 -0.065 NA ATOM 14 C LIG 1 -2.491 0.383 -1.532 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -2.287 -0.173 -0.255 0.00 0.00 -0.034 A ATOM 16 N LIG 1 -2.691 3.834 -1.037 0.00 0.00 -0.243 N ATOM 17 C LIG 1 -2.699 5.085 -0.328 0.00 0.00 +0.175 C ATOM 18 C LIG 1 -2.222 0.673 0.872 0.00 0.00 +0.052 A BRANCH 9 20 ATOM 19 C LIG 1 -2.259 2.417 3.122 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -2.295 2.956 1.805 0.00 0.00 -0.493 OA ENDBRANCH 9 20 ENDBRANCH 8 15 BRANCH 8 21 ATOM 21 C LIG 1 -3.466 -2.366 -0.423 0.00 0.00 +0.133 C BRANCH 21 22 ATOM 22 C LIG 1 -3.558 -3.745 0.175 0.00 0.00 +0.306 C ATOM 23 O LIG 1 -3.347 -4.777 -0.442 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.910 -3.744 1.482 0.00 0.00 -0.481 OA ATOM 25 H LIG 1 -4.085 -2.862 1.857 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 8 21 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 2.900 -1.526 -0.482 0.00 0.00 +0.144 C BRANCH 26 27 ATOM 27 N LIG 1 2.932 -1.299 0.993 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 3.154 -2.566 1.734 0.00 0.00 +0.132 C BRANCH 27 29 ATOM 29 S LIG 1 3.987 -0.053 1.493 0.00 0.00 +0.061 S ATOM 30 O LIG 1 5.265 -0.290 0.856 0.00 0.00 -0.153 OA ATOM 31 O LIG 1 3.879 0.079 2.931 0.00 0.00 -0.153 OA BRANCH 29 32 ATOM 32 C LIG 1 3.262 1.403 0.782 0.00 0.00 +0.105 A ATOM 33 C LIG 1 3.965 2.141 -0.174 0.00 0.00 +0.028 A ATOM 34 C LIG 1 3.381 3.284 -0.722 0.00 0.00 +0.002 A ATOM 35 C LIG 1 2.107 3.683 -0.312 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.415 2.946 0.651 0.00 0.00 +0.002 A ATOM 37 C LIG 1 1.990 1.803 1.204 0.00 0.00 +0.028 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 10