REMARK Name = LIG001795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.557 -0.089 1.140 0.00 0.00 -0.181 N ATOM 2 C LIG 1 2.114 1.190 0.913 0.00 0.00 +0.353 A ATOM 3 O LIG 1 3.318 1.415 0.770 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 1.206 2.247 0.867 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.146 2.099 1.078 0.00 0.00 +0.288 A ATOM 6 O LIG 1 -0.990 2.982 0.993 0.00 0.00 -0.265 OA ATOM 7 C LIG 1 -0.594 0.718 1.410 0.00 0.00 +0.210 A ATOM 8 N LIG 1 0.221 -0.291 1.417 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 4.473 -5.110 1.173 0.00 0.00 +0.044 C ATOM 10 C LIG 1 3.748 -3.794 1.144 0.00 0.00 -0.047 A ATOM 11 C LIG 1 4.370 -2.616 0.698 0.00 0.00 -0.046 A ATOM 12 C LIG 1 5.792 -2.623 0.202 0.00 0.00 +0.044 C ATOM 13 C LIG 1 3.647 -1.403 0.693 0.00 0.00 +0.031 A ATOM 14 C LIG 1 2.320 -1.318 1.139 0.00 0.00 +0.071 A ATOM 15 C LIG 1 1.726 -2.515 1.580 0.00 0.00 +0.028 A ATOM 16 C LIG 1 2.424 -3.727 1.587 0.00 0.00 +0.006 A ENDBRANCH 1 14 BRANCH 7 17 ATOM 17 C LIG 1 -2.036 0.429 1.741 0.00 0.00 +0.272 C ATOM 18 N LIG 1 -2.852 -0.057 0.715 0.00 0.00 -0.295 N ATOM 19 C LIG 1 -4.171 -0.571 1.091 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -5.204 -0.371 -0.021 0.00 0.00 +0.092 C ATOM 21 C LIG 1 -4.684 -0.936 -1.348 0.00 0.00 +0.016 C ATOM 22 C LIG 1 -3.326 -0.335 -1.695 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -2.319 -0.520 -0.565 0.00 0.00 +0.108 C ATOM 24 O LIG 1 -2.392 0.631 2.897 0.00 0.00 -0.268 OA BRANCH 20 25 ATOM 25 C LIG 1 -6.522 -1.022 0.361 0.00 0.00 +0.215 C ATOM 26 O LIG 1 -6.677 -1.761 1.325 0.00 0.00 -0.276 OA ATOM 27 N LIG 1 -7.568 -0.744 -0.472 0.00 0.00 -0.329 N ATOM 28 H LIG 1 -8.473 -1.095 -0.185 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -7.551 0.046 -1.102 0.00 0.00 +0.145 HD ENDBRANCH 20 25 ENDBRANCH 7 17 BRANCH 4 30 ATOM 30 C LIG 1 1.697 3.575 0.529 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 1.658 3.828 -0.964 0.00 0.00 -0.028 A ATOM 32 C LIG 1 0.531 4.413 -1.560 0.00 0.00 +0.005 A ATOM 33 C LIG 1 0.487 4.625 -2.939 0.00 0.00 +0.000 A ATOM 34 C LIG 1 1.566 4.252 -3.737 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.689 3.665 -3.158 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.735 3.451 -1.780 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 5