REMARK Name = LIG001470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.357 0.425 0.399 0.00 0.00 +0.003 C ATOM 2 C LIG 1 -0.465 1.710 0.153 0.00 0.00 +0.007 C ATOM 3 C LIG 1 -1.933 1.452 -0.195 0.00 0.00 +0.027 C ATOM 4 C LIG 1 -2.454 0.174 0.465 0.00 0.00 +0.107 C ATOM 5 C LIG 1 -1.665 -1.063 0.000 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -0.219 -0.748 -0.404 0.00 0.00 +0.007 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.893 0.012 0.284 0.00 0.00 -0.267 N ATOM 8 N LIG 1 -4.419 -0.043 -0.962 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -5.744 -0.147 -0.770 0.00 0.00 +0.093 A ATOM 10 C LIG 1 -6.023 -0.159 0.631 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -7.266 -0.248 1.241 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -8.322 -0.329 0.300 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -8.103 -0.324 -1.153 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -6.786 -0.237 -1.706 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -4.825 -0.062 1.282 0.00 0.00 +0.117 A BRANCH 12 16 ATOM 16 N LIG 1 -9.659 -0.412 0.758 0.00 0.00 -0.280 N ATOM 17 H LIG 1 -10.387 -0.424 0.037 0.00 0.00 +0.155 HD ATOM 18 C LIG 1 -10.149 -0.426 2.050 0.00 0.00 +0.267 C ATOM 19 O LIG 1 -9.507 -0.374 3.092 0.00 0.00 -0.268 OA BRANCH 18 20 ATOM 20 C LIG 1 -11.648 -0.502 2.108 0.00 0.00 +0.126 A ATOM 21 N LIG 1 -12.291 -0.637 0.914 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 -13.653 -0.699 0.928 0.00 0.00 +0.144 A ATOM 23 C LIG 1 -14.377 -0.612 2.121 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -13.694 -0.472 3.329 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -12.306 -0.419 3.327 0.00 0.00 +0.033 A BRANCH 22 26 ATOM 26 C LIG 1 -14.398 -0.830 -0.396 0.00 0.00 +0.434 C ATOM 27 F LIG 1 -13.841 -1.739 -1.245 0.00 0.00 -0.164 F ATOM 28 F LIG 1 -15.697 -1.228 -0.239 0.00 0.00 -0.164 F ATOM 29 F LIG 1 -14.461 0.346 -1.083 0.00 0.00 -0.164 F ENDBRANCH 22 26 ENDBRANCH 18 20 ENDBRANCH 12 16 BRANCH 13 30 ATOM 30 C LIG 1 -9.286 -0.471 -2.136 0.00 0.00 +0.087 C ATOM 31 C LIG 1 -9.031 0.057 -3.558 0.00 0.00 +0.046 C ATOM 32 C LIG 1 -9.718 -1.941 -2.223 0.00 0.00 +0.046 C BRANCH 30 33 ATOM 33 O LIG 1 -10.405 0.285 -1.650 0.00 0.00 -0.384 OA ATOM 34 H LIG 1 -10.092 1.202 -1.538 0.00 0.00 +0.211 HD ENDBRANCH 30 33 ENDBRANCH 13 30 ENDBRANCH 4 7 BRANCH 1 35 ATOM 35 C LIG 1 1.850 0.697 0.096 0.00 0.00 +0.087 C BRANCH 35 37 ATOM 36 C LIG 1 2.812 -0.902 1.674 0.00 0.00 +0.104 C ATOM 37 N LIG 1 2.743 -0.455 0.285 0.00 0.00 -0.305 NA BRANCH 37 38 ATOM 38 C LIG 1 4.082 -0.220 -0.287 0.00 0.00 +0.084 C BRANCH 38 39 ATOM 39 C LIG 1 4.947 0.841 0.411 0.00 0.00 +0.016 C BRANCH 39 40 ATOM 40 C LIG 1 6.276 1.046 -0.324 0.00 0.00 +0.006 C BRANCH 40 41 ATOM 41 C LIG 1 7.166 2.044 0.421 0.00 0.00 +0.036 C BRANCH 41 42 ATOM 42 C LIG 1 8.443 2.335 -0.322 0.00 0.00 -0.035 A ATOM 43 C LIG 1 9.562 1.514 -0.260 0.00 0.00 +0.053 A ATOM 44 C LIG 1 9.817 0.259 0.460 0.00 0.00 +0.255 C ATOM 45 N LIG 1 11.100 -0.122 0.161 0.00 0.00 -0.222 N ATOM 46 C LIG 1 11.706 0.778 -0.666 0.00 0.00 +0.255 C ATOM 47 O LIG 1 12.847 0.782 -1.085 0.00 0.00 -0.270 OA ATOM 48 O LIG 1 9.009 -0.318 1.162 0.00 0.00 -0.270 OA ATOM 49 C LIG 1 10.723 1.817 -0.954 0.00 0.00 +0.050 A ATOM 50 C LIG 1 10.844 2.942 -1.747 0.00 0.00 +0.014 A ATOM 51 C LIG 1 9.733 3.780 -1.837 0.00 0.00 +0.001 A ATOM 52 C LIG 1 8.548 3.480 -1.135 0.00 0.00 +0.004 A BRANCH 45 53 ATOM 53 C LIG 1 11.742 -1.290 0.747 0.00 0.00 +0.171 C ATOM 54 C LIG 1 12.877 -0.826 1.662 0.00 0.00 +0.240 C ATOM 55 O LIG 1 12.723 0.030 2.532 0.00 0.00 -0.273 OA ATOM 56 N LIG 1 14.110 -1.388 1.450 0.00 0.00 -0.255 N ATOM 57 H LIG 1 14.840 -1.058 2.067 0.00 0.00 +0.158 HD ATOM 58 C LIG 1 14.573 -1.919 0.275 0.00 0.00 +0.219 C ATOM 59 O LIG 1 15.776 -2.095 0.100 0.00 0.00 -0.275 OA ATOM 60 C LIG 1 13.556 -2.212 -0.800 0.00 0.00 +0.098 C ATOM 61 C LIG 1 12.153 -2.378 -0.244 0.00 0.00 +0.041 C ENDBRANCH 45 53 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 14