REMARK Name = LIG000833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.088 -0.444 -0.219 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.840 -0.787 -1.457 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.236 -1.315 -2.382 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.165 -0.417 -1.460 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.722 0.437 -0.510 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.895 0.799 -0.630 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.858 0.841 0.534 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.581 0.339 0.691 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.835 -0.051 -0.599 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.693 -0.585 0.266 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.384 -0.145 -0.223 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.296 -0.989 0.026 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.375 -2.139 0.442 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.229 1.289 -0.465 0.00 0.00 +0.108 C ATOM 15 C LIG 1 3.365 1.850 -1.317 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.732 1.466 -0.761 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 6.166 -0.420 0.015 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.353 -0.649 1.202 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 7.133 -0.433 -0.945 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 9.399 -0.743 -1.634 0.00 0.00 +0.048 C ATOM 21 C LIG 1 8.441 -0.764 -0.460 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -2.223 1.774 1.579 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -3.396 2.542 1.554 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -3.727 3.451 2.583 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -5.006 4.238 2.483 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -2.856 3.612 3.674 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -3.162 4.564 4.796 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -1.681 2.859 3.711 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -1.371 1.961 2.683 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.990 -0.863 -2.572 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.622 -2.207 -2.286 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -4.858 -2.288 -1.631 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.428 -3.529 -1.342 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.767 -4.713 -1.687 0.00 0.00 -0.050 A ATOM 35 C LIG 1 -5.394 -6.045 -1.403 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -3.535 -4.635 -2.346 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -2.964 -3.394 -2.637 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7