REMARK Name = LIG000793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.552 -0.501 1.539 0.00 0.00 +0.096 C ATOM 2 N LIG 1 -2.430 -0.154 0.103 0.00 0.00 -0.297 NA ATOM 3 C LIG 1 -2.758 1.238 -0.214 0.00 0.00 +0.105 C ATOM 4 C LIG 1 -1.008 -0.432 -0.183 0.00 0.00 +0.116 C ATOM 5 C LIG 1 -0.224 0.050 1.043 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.241 -0.022 2.183 0.00 0.00 +0.055 C ENDROOT BRANCH 5 7 ATOM 7 O LIG 1 0.909 -0.785 1.258 0.00 0.00 -0.373 OA BRANCH 7 8 ATOM 8 C LIG 1 1.840 -0.325 2.245 0.00 0.00 +0.188 C BRANCH 8 9 ATOM 9 C LIG 1 2.657 0.897 1.807 0.00 0.00 +0.188 C BRANCH 9 10 ATOM 10 O LIG 1 3.446 0.567 0.659 0.00 0.00 -0.375 OA BRANCH 10 11 ATOM 11 C LIG 1 4.001 1.710 -0.001 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 5.244 2.266 0.701 0.00 0.00 +0.188 C BRANCH 12 13 ATOM 13 O LIG 1 6.442 1.566 0.360 0.00 0.00 -0.375 OA BRANCH 13 14 ATOM 14 C LIG 1 6.556 0.261 0.931 0.00 0.00 +0.188 C BRANCH 14 15 ATOM 15 C LIG 1 6.417 -0.839 -0.131 0.00 0.00 +0.188 C BRANCH 15 16 ATOM 16 O LIG 1 7.280 -0.698 -1.265 0.00 0.00 -0.376 OA BRANCH 16 17 ATOM 17 C LIG 1 8.673 -0.671 -0.946 0.00 0.00 +0.178 C BRANCH 17 18 ATOM 18 C LIG 1 9.473 -0.830 -2.241 0.00 0.00 +0.129 C BRANCH 18 19 ATOM 19 N LIG 1 10.915 -0.737 -2.029 0.00 0.00 -0.341 N ATOM 20 H LIG 1 11.320 -1.534 -1.528 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 11.557 0.466 -1.769 0.00 0.00 +0.040 A ATOM 22 C LIG 1 12.853 0.494 -1.265 0.00 0.00 +0.070 A ATOM 23 C LIG 1 13.711 -0.600 -0.799 0.00 0.00 +0.256 C ATOM 24 N LIG 1 14.902 -0.045 -0.419 0.00 0.00 -0.222 N ATOM 25 C LIG 1 14.870 1.319 -0.531 0.00 0.00 +0.255 C ATOM 26 O LIG 1 15.733 2.131 -0.256 0.00 0.00 -0.270 OA ATOM 27 O LIG 1 13.361 -1.764 -0.716 0.00 0.00 -0.269 OA ATOM 28 C LIG 1 13.563 1.669 -1.078 0.00 0.00 +0.051 A ATOM 29 C LIG 1 13.035 2.906 -1.386 0.00 0.00 +0.014 A ATOM 30 C LIG 1 11.744 2.924 -1.909 0.00 0.00 +0.003 A ATOM 31 C LIG 1 11.026 1.722 -2.107 0.00 0.00 +0.024 A BRANCH 24 32 ATOM 32 C LIG 1 16.015 -0.763 0.187 0.00 0.00 +0.171 C ATOM 33 C LIG 1 15.559 -1.338 1.528 0.00 0.00 +0.240 C ATOM 34 O LIG 1 15.044 -0.647 2.406 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 15.707 -2.687 1.708 0.00 0.00 -0.255 N ATOM 36 H LIG 1 15.400 -3.040 2.604 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 15.874 -3.645 0.742 0.00 0.00 +0.219 C ATOM 38 O LIG 1 15.780 -4.837 1.021 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 16.113 -3.169 -0.667 0.00 0.00 +0.098 C ATOM 40 C LIG 1 16.712 -1.776 -0.717 0.00 0.00 +0.041 C ENDBRANCH 24 32 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 5 7 BRANCH 1 41 ATOM 41 C LIG 1 -3.792 -0.027 2.325 0.00 0.00 +0.251 C BRANCH 41 42 ATOM 42 O LIG 1 -4.865 -0.950 2.155 0.00 0.00 -0.461 OA BRANCH 42 51 ATOM 43 C LIG 1 -7.812 -1.224 0.279 0.00 0.00 +0.132 A ATOM 44 C LIG 1 -8.068 0.084 -0.119 0.00 0.00 +0.017 A ATOM 45 C LIG 1 -9.204 0.455 -1.034 0.00 0.00 +0.059 C ATOM 46 C LIG 1 -9.588 1.929 -0.903 0.00 0.00 +0.110 C ATOM 47 N LIG 1 -8.382 2.742 -1.063 0.00 0.00 -0.323 N ATOM 48 C LIG 1 -7.314 2.513 -0.080 0.00 0.00 +0.161 C ATOM 49 C LIG 1 -7.144 1.045 0.286 0.00 0.00 +0.070 A ATOM 50 N LIG 1 -6.071 0.742 1.051 0.00 0.00 -0.198 NA ATOM 51 C LIG 1 -5.900 -0.550 1.347 0.00 0.00 +0.320 A ATOM 52 N LIG 1 -6.731 -1.542 1.009 0.00 0.00 -0.180 NA BRANCH 47 53 ATOM 53 C LIG 1 -8.616 4.092 -1.388 0.00 0.00 +0.038 A ATOM 54 C LIG 1 -9.222 5.066 -0.531 0.00 0.00 +0.003 A ATOM 55 C LIG 1 -9.407 6.385 -1.028 0.00 0.00 -0.016 A ATOM 56 C LIG 1 -10.005 7.371 -0.224 0.00 0.00 +0.008 A ATOM 57 C LIG 1 -10.427 7.087 1.073 0.00 0.00 +0.001 A ATOM 58 C LIG 1 -10.254 5.810 1.583 0.00 0.00 +0.001 A ATOM 59 C LIG 1 -9.001 6.713 -2.330 0.00 0.00 +0.008 A ATOM 60 C LIG 1 -8.414 5.763 -3.157 0.00 0.00 +0.002 A ATOM 61 C LIG 1 -9.662 4.819 0.794 0.00 0.00 +0.010 A ATOM 62 C LIG 1 -8.226 4.468 -2.688 0.00 0.00 +0.024 A ENDBRANCH 47 53 BRANCH 43 67 ATOM 63 C LIG 1 -11.022 -5.822 0.529 0.00 0.00 +0.239 C ATOM 64 N LIG 1 -10.151 -4.755 0.363 0.00 0.00 -0.291 N ATOM 65 C LIG 1 -9.073 -4.639 -0.655 0.00 0.00 +0.107 C ATOM 66 C LIG 1 -8.038 -3.545 -0.276 0.00 0.00 +0.130 C ATOM 67 N LIG 1 -8.711 -2.255 -0.060 0.00 0.00 -0.311 N ATOM 68 C LIG 1 -9.856 -2.300 0.888 0.00 0.00 +0.125 C ATOM 69 C LIG 1 -10.161 -3.717 1.406 0.00 0.00 +0.127 C ATOM 70 O LIG 1 -11.908 -5.834 1.382 0.00 0.00 -0.271 OA BRANCH 63 72 ATOM 71 C LIG 1 -11.874 -7.826 -0.602 0.00 0.00 +0.013 C ATOM 72 C LIG 1 -10.846 -7.001 -0.359 0.00 0.00 +0.060 C ENDBRANCH 63 72 BRANCH 65 73 ATOM 73 C LIG 1 -9.591 -4.461 -2.099 0.00 0.00 +0.142 C BRANCH 73 74 ATOM 74 C LIG 1 -10.456 -3.290 -2.307 0.00 0.00 +0.064 C ATOM 75 N LIG 1 -11.154 -2.385 -2.519 0.00 0.00 -0.197 NA ENDBRANCH 73 74 ENDBRANCH 65 73 ENDBRANCH 43 67 ENDBRANCH 42 51 ENDBRANCH 41 42 ENDBRANCH 1 41 TORSDOF 23