REMARK Name = LIG001640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.092 1.256 -1.063 0.00 0.00 -0.241 N ATOM 2 C LIG 1 1.776 1.362 -2.241 0.00 0.00 +0.164 A ATOM 3 C LIG 1 3.076 0.971 -1.966 0.00 0.00 +0.086 A ATOM 4 C LIG 1 3.966 0.964 -3.048 0.00 0.00 +0.131 A ATOM 5 N LIG 1 3.517 1.355 -4.259 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 2.230 1.730 -4.381 0.00 0.00 +0.225 A ATOM 7 C LIG 1 3.078 0.675 -0.570 0.00 0.00 +0.105 A ATOM 8 N LIG 1 1.285 1.759 -3.428 0.00 0.00 -0.216 NA ATOM 9 N LIG 1 1.852 0.825 -0.035 0.00 0.00 -0.168 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -3.385 -0.420 -0.223 0.00 0.00 +0.240 C ATOM 11 N LIG 1 -2.502 0.638 -0.108 0.00 0.00 -0.296 N ATOM 12 C LIG 1 -1.067 0.362 -0.258 0.00 0.00 +0.135 C ATOM 13 C LIG 1 -0.315 1.558 -0.850 0.00 0.00 +0.127 C ATOM 14 C LIG 1 -0.508 2.837 -0.012 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -1.727 2.768 0.910 0.00 0.00 +0.021 C ATOM 16 C LIG 1 -2.884 2.001 0.279 0.00 0.00 +0.108 C ATOM 17 O LIG 1 -3.048 -1.589 -0.384 0.00 0.00 -0.271 OA BRANCH 10 19 ATOM 18 C LIG 1 -5.421 0.547 -1.127 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -4.828 -0.118 -0.128 0.00 0.00 +0.071 C BRANCH 18 20 ATOM 20 C LIG 1 -6.860 0.903 -1.131 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -7.202 1.977 -1.616 0.00 0.00 -0.287 OA BRANCH 20 25 ATOM 22 C LIG 1 -9.869 -1.665 0.535 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.004 -0.278 0.586 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.012 0.545 0.039 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -7.873 -0.015 -0.552 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -7.747 -1.405 -0.625 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -8.740 -2.221 -0.075 0.00 0.00 +0.046 A BRANCH 22 29 ATOM 28 C LIG 1 -11.937 -2.067 1.637 0.00 0.00 +0.277 C ATOM 29 O LIG 1 -10.757 -2.579 1.029 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 20 25 ENDBRANCH 18 20 ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 7 30 ATOM 30 C LIG 1 4.194 0.246 0.272 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.419 0.926 0.243 0.00 0.00 +0.014 A ATOM 32 C LIG 1 6.480 0.507 1.050 0.00 0.00 +0.047 A ATOM 33 C LIG 1 6.322 -0.599 1.889 0.00 0.00 +0.128 A ATOM 34 C LIG 1 5.096 -1.259 1.953 0.00 0.00 +0.047 A ATOM 35 C LIG 1 4.036 -0.840 1.144 0.00 0.00 +0.014 A BRANCH 33 36 ATOM 36 O LIG 1 7.312 -1.040 2.736 0.00 0.00 -0.456 OA BRANCH 36 37 ATOM 37 C LIG 1 8.579 -1.163 2.213 0.00 0.00 +0.128 A ATOM 38 C LIG 1 8.838 -1.868 1.034 0.00 0.00 +0.046 A ATOM 39 C LIG 1 10.149 -1.988 0.574 0.00 0.00 +0.004 A ATOM 40 C LIG 1 11.199 -1.420 1.298 0.00 0.00 +0.000 A ATOM 41 C LIG 1 10.940 -0.737 2.487 0.00 0.00 +0.004 A ATOM 42 C LIG 1 9.629 -0.615 2.950 0.00 0.00 +0.046 A ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 7 30 BRANCH 4 43 ATOM 43 N LIG 1 5.291 0.557 -2.985 0.00 0.00 -0.342 N ATOM 44 H LIG 1 5.652 0.383 -3.917 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 5.488 -0.159 -2.297 0.00 0.00 +0.144 HD ENDBRANCH 4 43 TORSDOF 9