REMARK Name = LIG001735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.106 -0.005 -0.570 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -0.435 0.928 -1.510 0.00 0.00 +0.120 C ATOM 3 C LIG 1 1.045 0.525 -1.723 0.00 0.00 +0.103 C ATOM 4 N LIG 1 1.792 0.419 -0.455 0.00 0.00 -0.299 NA ATOM 5 C LIG 1 1.110 -0.540 0.435 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -0.363 -0.148 0.701 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -5.312 0.266 -0.562 0.00 0.00 +0.125 A ATOM 8 N LIG 1 -4.645 0.101 -1.721 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 -3.288 0.019 -1.669 0.00 0.00 +0.136 A ATOM 10 C LIG 1 -2.500 0.113 -0.519 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -3.228 0.278 0.658 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -4.627 0.360 0.639 0.00 0.00 +0.045 A BRANCH 7 13 ATOM 13 N LIG 1 -6.686 0.325 -0.689 0.00 0.00 -0.268 N ATOM 14 H LIG 1 -6.986 0.222 -1.645 0.00 0.00 +0.156 HD BRANCH 13 23 ATOM 15 C LIG 1 -12.353 0.405 2.098 0.00 0.00 +0.085 A ATOM 16 C LIG 1 -12.485 0.222 0.622 0.00 0.00 +0.264 A ATOM 17 O LIG 1 -13.603 0.013 0.152 0.00 0.00 -0.267 OA ATOM 18 N LIG 1 -11.337 0.315 -0.152 0.00 0.00 -0.289 N ATOM 19 C LIG 1 -10.049 0.400 0.448 0.00 0.00 +0.149 A ATOM 20 C LIG 1 -9.953 0.514 1.824 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -8.655 0.552 2.293 0.00 0.00 +0.126 A ATOM 22 N LIG 1 -7.557 0.499 1.514 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 -7.744 0.397 0.196 0.00 0.00 +0.222 A ATOM 24 N LIG 1 -8.964 0.350 -0.355 0.00 0.00 -0.196 NA ATOM 25 C LIG 1 -11.149 0.578 2.683 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -10.940 0.846 4.154 0.00 0.00 +0.045 C BRANCH 18 27 ATOM 27 C LIG 1 -11.413 0.159 -1.616 0.00 0.00 +0.092 C ATOM 28 C LIG 1 -12.441 1.075 -2.316 0.00 0.00 +0.025 C ATOM 29 C LIG 1 -13.367 0.145 -3.094 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -12.522 -1.090 -3.357 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -11.761 -1.272 -2.053 0.00 0.00 +0.025 C ENDBRANCH 18 27 BRANCH 15 33 ATOM 32 C LIG 1 -14.748 1.262 2.507 0.00 0.00 +0.092 C ATOM 33 C LIG 1 -13.597 0.386 2.929 0.00 0.00 +0.166 C ATOM 34 O LIG 1 -13.669 -0.319 3.936 0.00 0.00 -0.292 OA ENDBRANCH 15 33 ENDBRANCH 13 23 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 35 ATOM 35 C LIG 1 3.218 0.122 -0.645 0.00 0.00 +0.084 C BRANCH 35 36 ATOM 36 C LIG 1 3.570 -1.197 -1.349 0.00 0.00 +0.015 C BRANCH 36 37 ATOM 37 C LIG 1 5.079 -1.466 -1.411 0.00 0.00 +0.001 C BRANCH 37 38 ATOM 38 C LIG 1 5.840 -0.466 -2.282 0.00 0.00 +0.001 C BRANCH 38 39 ATOM 39 C LIG 1 7.301 -0.854 -2.549 0.00 0.00 +0.009 C BRANCH 39 40 ATOM 40 C LIG 1 8.196 -0.833 -1.305 0.00 0.00 +0.096 C BRANCH 40 41 ATOM 41 C LIG 1 8.256 -2.156 -0.551 0.00 0.00 +0.216 C ATOM 42 N LIG 1 8.996 -2.171 0.612 0.00 0.00 -0.290 N ATOM 43 C LIG 1 9.677 -1.047 1.256 0.00 0.00 +0.162 C ATOM 44 C LIG 1 9.909 -1.540 2.688 0.00 0.00 +0.033 C ATOM 45 C LIG 1 10.093 -3.044 2.506 0.00 0.00 +0.021 C ATOM 46 C LIG 1 9.100 -3.382 1.405 0.00 0.00 +0.108 C ATOM 47 O LIG 1 7.677 -3.165 -0.951 0.00 0.00 -0.276 OA BRANCH 43 48 ATOM 48 C LIG 1 11.020 -0.694 0.575 0.00 0.00 +0.234 C ATOM 49 N LIG 1 11.641 0.427 1.104 0.00 0.00 -0.302 N ATOM 50 H LIG 1 11.038 1.067 1.611 0.00 0.00 +0.150 HD ATOM 51 O LIG 1 11.507 -1.340 -0.348 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 C LIG 1 12.749 1.041 0.382 0.00 0.00 +0.160 C ATOM 53 C LIG 1 12.220 2.221 -0.446 0.00 0.00 +0.240 C ATOM 54 O LIG 1 11.024 2.443 -0.622 0.00 0.00 -0.273 OA ATOM 55 N LIG 1 13.182 3.056 -0.958 0.00 0.00 -0.255 N ATOM 56 H LIG 1 12.827 3.839 -1.491 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 14.411 3.279 -0.387 0.00 0.00 +0.219 C ATOM 58 O LIG 1 15.048 4.298 -0.636 0.00 0.00 -0.275 OA ATOM 59 C LIG 1 14.936 2.203 0.536 0.00 0.00 +0.098 C ATOM 60 C LIG 1 13.812 1.562 1.339 0.00 0.00 +0.041 C ENDBRANCH 49 52 ENDBRANCH 43 48 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 14