REMARK Name = LIG001483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.291 0.140 -1.596 0.00 0.00 +0.091 C ATOM 2 C LIG 1 2.954 1.523 -1.749 0.00 0.00 +0.128 C ATOM 3 N LIG 1 3.276 1.411 -0.329 0.00 0.00 -0.298 N ATOM 4 C LIG 1 3.818 2.364 0.492 0.00 0.00 +0.216 C ATOM 5 O LIG 1 4.330 3.392 0.051 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 2.291 0.369 -0.072 0.00 0.00 +0.128 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -1.981 -0.235 -1.581 0.00 0.00 +0.029 C ATOM 8 C LIG 1 -0.903 -1.139 -0.962 0.00 0.00 +0.022 C ATOM 9 C LIG 1 0.325 -1.268 -1.865 0.00 0.00 +0.085 C ATOM 10 N LIG 1 0.948 0.019 -2.193 0.00 0.00 -0.296 NA ATOM 11 C LIG 1 0.060 1.180 -2.104 0.00 0.00 +0.085 C ATOM 12 C LIG 1 -1.367 0.819 -2.518 0.00 0.00 +0.022 C BRANCH 7 13 ATOM 13 C LIG 1 -3.056 -1.061 -2.310 0.00 0.00 +0.232 C BRANCH 13 14 ATOM 14 O LIG 1 -4.014 -0.228 -2.961 0.00 0.00 -0.492 OA BRANCH 14 18 ATOM 15 C LIG 1 -7.333 1.476 -1.032 0.00 0.00 -0.037 A ATOM 16 C LIG 1 -6.497 0.590 -0.323 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -5.377 -0.004 -0.920 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -5.065 0.271 -2.247 0.00 0.00 +0.121 A ATOM 19 C LIG 1 -5.885 1.143 -2.964 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -7.001 1.741 -2.369 0.00 0.00 +0.008 A BRANCH 15 22 ATOM 21 C LIG 1 -7.979 3.086 0.743 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -8.552 2.116 -0.325 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -9.429 2.987 -1.262 0.00 0.00 +0.021 C BRANCH 22 24 ATOM 24 C LIG 1 -9.487 1.031 0.261 0.00 0.00 -0.037 A ATOM 25 C LIG 1 -9.923 1.037 1.593 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -10.785 0.042 2.072 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -11.235 -0.985 1.242 0.00 0.00 +0.121 A ATOM 28 C LIG 1 -10.822 -0.999 -0.085 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -9.960 -0.006 -0.568 0.00 0.00 +0.008 A BRANCH 27 30 ATOM 30 O LIG 1 -12.075 -1.872 1.848 0.00 0.00 -0.489 OA BRANCH 30 31 ATOM 31 C LIG 1 -12.421 -3.091 1.188 0.00 0.00 +0.261 C BRANCH 31 32 ATOM 32 C LIG 1 -13.824 -3.033 0.556 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 O LIG 1 -13.812 -2.268 -0.658 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -13.258 -2.739 -1.303 0.00 0.00 +0.210 HD ENDBRANCH 32 33 BRANCH 32 35 ATOM 35 C LIG 1 -14.889 -2.435 1.478 0.00 0.00 +0.143 C ATOM 36 CL LIG 1 -15.210 -3.468 2.894 0.00 0.00 -0.123 Cl ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 15 22 ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 37 ATOM 37 C LIG 1 3.745 2.031 1.973 0.00 0.00 +0.096 C BRANCH 37 38 ATOM 38 C LIG 1 4.458 3.023 2.894 0.00 0.00 +0.011 C BRANCH 38 39 ATOM 39 C LIG 1 5.938 2.707 3.168 0.00 0.00 +0.019 C BRANCH 39 40 ATOM 40 C LIG 1 6.905 3.143 2.068 0.00 0.00 +0.101 C BRANCH 40 41 ATOM 41 N LIG 1 6.785 2.275 0.906 0.00 0.00 -0.344 N ATOM 42 H LIG 1 6.278 2.745 0.149 0.00 0.00 +0.146 HD BRANCH 41 43 ATOM 43 C LIG 1 7.806 1.439 0.474 0.00 0.00 +0.028 A ATOM 44 C LIG 1 8.779 0.910 1.331 0.00 0.00 +0.036 A ATOM 45 C LIG 1 9.713 0.038 0.801 0.00 0.00 +0.051 A ATOM 46 C LIG 1 10.836 -0.645 1.437 0.00 0.00 +0.255 C ATOM 47 N LIG 1 11.464 -1.368 0.458 0.00 0.00 -0.222 N ATOM 48 C LIG 1 10.801 -1.273 -0.736 0.00 0.00 +0.254 C ATOM 49 O LIG 1 11.031 -1.837 -1.788 0.00 0.00 -0.270 OA ATOM 50 O LIG 1 11.124 -0.548 2.615 0.00 0.00 -0.270 OA ATOM 51 C LIG 1 9.692 -0.346 -0.525 0.00 0.00 +0.050 A ATOM 52 C LIG 1 8.729 0.112 -1.395 0.00 0.00 +0.015 A ATOM 53 C LIG 1 7.779 1.001 -0.877 0.00 0.00 +0.024 A BRANCH 47 54 ATOM 54 C LIG 1 12.563 -2.280 0.731 0.00 0.00 +0.171 C ATOM 55 C LIG 1 12.023 -3.710 0.835 0.00 0.00 +0.240 C ATOM 56 O LIG 1 10.863 -3.983 1.137 0.00 0.00 -0.273 OA ATOM 57 N LIG 1 12.947 -4.712 0.641 0.00 0.00 -0.255 N ATOM 58 H LIG 1 12.602 -5.657 0.740 0.00 0.00 +0.158 HD ATOM 59 C LIG 1 14.267 -4.588 0.285 0.00 0.00 +0.219 C ATOM 60 O LIG 1 14.986 -5.576 0.165 0.00 0.00 -0.275 OA ATOM 61 C LIG 1 14.798 -3.182 0.125 0.00 0.00 +0.098 C ATOM 62 C LIG 1 13.697 -2.216 -0.289 0.00 0.00 +0.041 C ENDBRANCH 47 54 ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 18