REMARK Name = LIG000992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.223 -2.812 0.442 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.647 -4.046 0.953 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.883 -5.219 0.779 0.00 0.00 -0.037 A ATOM 4 C LIG 1 0.351 -5.102 0.105 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.791 -3.875 -0.391 0.00 0.00 +0.123 A ATOM 6 C LIG 1 -0.011 -2.744 -0.250 0.00 0.00 +0.069 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.062 -1.357 1.341 0.00 0.00 +0.270 C ATOM 8 N LIG 1 -1.942 -1.605 0.570 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -1.585 -0.838 0.022 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.624 -2.191 2.041 0.00 0.00 -0.268 OA BRANCH 7 14 ATOM 11 N LIG 1 -3.987 2.147 0.890 0.00 0.00 -0.213 N ATOM 12 C LIG 1 -2.953 1.212 0.872 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -1.522 1.546 0.629 0.00 0.00 +0.068 C ATOM 14 C LIG 1 -3.573 0.020 1.255 0.00 0.00 +0.170 A ATOM 15 N LIG 1 -4.853 0.304 1.670 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -5.063 1.599 1.522 0.00 0.00 -0.060 NA BRANCH 11 19 ATOM 17 C LIG 1 -5.064 5.697 0.690 0.00 0.00 +0.122 A ATOM 18 C LIG 1 -4.927 4.370 1.103 0.00 0.00 +0.077 A ATOM 19 C LIG 1 -4.065 3.487 0.413 0.00 0.00 +0.112 A ATOM 20 C LIG 1 -3.390 3.933 -0.740 0.00 0.00 +0.146 A ATOM 21 C LIG 1 -3.515 5.272 -1.135 0.00 0.00 +0.051 A ATOM 22 C LIG 1 -4.349 6.142 -0.427 0.00 0.00 +0.049 A BRANCH 17 24 ATOM 23 C LIG 1 -6.531 6.270 2.483 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -5.851 6.646 1.284 0.00 0.00 -0.495 OA ENDBRANCH 17 24 BRANCH 20 25 ATOM 25 O LIG 1 -2.636 3.060 -1.477 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 -2.905 3.102 -2.882 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 C LIG 1 -1.351 -6.595 1.296 0.00 0.00 -0.012 C ATOM 28 C LIG 1 -2.764 -6.586 1.927 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -0.368 -7.097 2.376 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -1.388 -7.611 0.129 0.00 0.00 +0.015 C ENDBRANCH 3 27 BRANCH 5 31 ATOM 31 O LIG 1 1.972 -3.660 -1.046 0.00 0.00 -0.483 OA BRANCH 31 32 ATOM 32 C LIG 1 3.037 -4.559 -0.726 0.00 0.00 +0.324 C BRANCH 32 33 ATOM 33 C LIG 1 4.381 -3.863 -0.957 0.00 0.00 +0.255 C ATOM 34 N LIG 1 4.279 -2.482 -0.937 0.00 0.00 -0.282 N ATOM 35 H LIG 1 3.322 -2.120 -0.880 0.00 0.00 +0.155 HD ATOM 36 O LIG 1 5.417 -4.512 -1.090 0.00 0.00 -0.272 OA BRANCH 34 37 ATOM 37 C LIG 1 5.311 -1.529 -0.999 0.00 0.00 +0.046 A ATOM 38 C LIG 1 4.987 -0.180 -0.992 0.00 0.00 +0.071 A ATOM 39 C LIG 1 3.685 0.493 -0.949 0.00 0.00 +0.256 C ATOM 40 N LIG 1 3.928 1.840 -1.001 0.00 0.00 -0.222 N ATOM 41 C LIG 1 5.272 2.102 -0.984 0.00 0.00 +0.255 C ATOM 42 O LIG 1 5.845 3.174 -0.923 0.00 0.00 -0.270 OA ATOM 43 O LIG 1 2.615 -0.086 -0.882 0.00 0.00 -0.269 OA ATOM 44 C LIG 1 5.955 0.810 -1.019 0.00 0.00 +0.051 A ATOM 45 C LIG 1 7.304 0.521 -1.056 0.00 0.00 +0.014 A ATOM 46 C LIG 1 7.662 -0.830 -1.076 0.00 0.00 +0.003 A ATOM 47 C LIG 1 6.676 -1.844 -1.048 0.00 0.00 +0.024 A BRANCH 40 48 ATOM 48 C LIG 1 2.881 2.839 -0.824 0.00 0.00 +0.171 C ATOM 49 C LIG 1 2.831 3.255 0.651 0.00 0.00 +0.240 C ATOM 50 O LIG 1 3.207 2.535 1.575 0.00 0.00 -0.273 OA ATOM 51 N LIG 1 2.243 4.474 0.910 0.00 0.00 -0.255 N ATOM 52 H LIG 1 2.159 4.731 1.884 0.00 0.00 +0.158 HD ATOM 53 C LIG 1 1.758 5.387 0.007 0.00 0.00 +0.219 C ATOM 54 O LIG 1 1.208 6.418 0.388 0.00 0.00 -0.275 OA ATOM 55 C LIG 1 1.864 5.023 -1.456 0.00 0.00 +0.098 C ATOM 56 C LIG 1 3.023 4.069 -1.717 0.00 0.00 +0.041 C ENDBRANCH 40 48 ENDBRANCH 34 37 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 11