REMARK Name = LIG000915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.128 -0.395 -0.489 0.00 0.00 +0.125 A ATOM 2 N LIG 1 -0.441 -1.555 -0.524 0.00 0.00 -0.238 NA ATOM 3 C LIG 1 0.876 -1.511 -0.864 0.00 0.00 +0.136 A ATOM 4 C LIG 1 1.606 -0.368 -1.193 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.857 0.809 -1.145 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -0.502 0.800 -0.798 0.00 0.00 +0.045 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.954 -0.373 -1.517 0.00 0.00 -0.326 N ATOM 8 C LIG 1 3.784 -1.573 -1.327 0.00 0.00 +0.124 C ATOM 9 C LIG 1 5.279 -1.212 -1.200 0.00 0.00 +0.127 C ATOM 10 N LIG 1 5.778 -0.332 -2.264 0.00 0.00 -0.295 N ATOM 11 C LIG 1 7.074 0.147 -2.359 0.00 0.00 +0.240 C ATOM 12 O LIG 1 7.418 0.983 -3.192 0.00 0.00 -0.271 OA ATOM 13 C LIG 1 4.754 0.232 -3.147 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.512 0.701 -2.364 0.00 0.00 +0.124 C BRANCH 11 15 ATOM 15 C LIG 1 8.066 -0.393 -1.390 0.00 0.00 +0.068 C ATOM 16 C LIG 1 9.195 0.294 -1.152 0.00 0.00 +0.013 C BRANCH 16 17 ATOM 17 C LIG 1 10.227 -0.169 -0.220 0.00 0.00 -0.024 A ATOM 18 C LIG 1 10.718 0.717 0.749 0.00 0.00 +0.020 A ATOM 19 C LIG 1 11.718 0.317 1.654 0.00 0.00 +0.055 A ATOM 20 C LIG 1 12.239 -0.982 1.558 0.00 0.00 +0.012 A ATOM 21 C LIG 1 11.765 -1.865 0.586 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.765 -1.459 -0.299 0.00 0.00 +0.008 A BRANCH 19 23 ATOM 23 C LIG 1 12.239 1.289 2.684 0.00 0.00 +0.417 C ATOM 24 F LIG 1 11.249 2.032 3.256 0.00 0.00 -0.166 F ATOM 25 F LIG 1 12.890 0.684 3.717 0.00 0.00 -0.166 F ATOM 26 F LIG 1 13.121 2.182 2.157 0.00 0.00 -0.166 F ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 N LIG 1 -2.454 -0.517 -0.127 0.00 0.00 -0.268 N ATOM 28 H LIG 1 -2.717 -1.469 0.073 0.00 0.00 +0.156 HD BRANCH 27 35 ATOM 29 C LIG 1 -7.718 1.451 1.137 0.00 0.00 +0.107 A ATOM 30 N LIG 1 -6.942 0.302 1.056 0.00 0.00 -0.318 N ATOM 31 C LIG 1 -5.671 0.634 0.639 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -5.623 2.002 0.448 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -4.402 2.517 0.035 0.00 0.00 +0.126 A ATOM 34 N LIG 1 -3.355 1.683 -0.159 0.00 0.00 -0.222 NA ATOM 35 C LIG 1 -3.508 0.361 0.059 0.00 0.00 +0.222 A ATOM 36 N LIG 1 -4.652 -0.220 0.459 0.00 0.00 -0.196 NA ATOM 37 C LIG 1 -6.902 2.513 0.761 0.00 0.00 +0.044 A BRANCH 29 40 ATOM 38 C LIG 1 -9.826 2.630 -0.522 0.00 0.00 +0.132 C ATOM 39 N LIG 1 -10.006 2.246 0.871 0.00 0.00 -0.302 N ATOM 40 C LIG 1 -9.088 1.504 1.615 0.00 0.00 +0.263 C ATOM 41 O LIG 1 -9.418 0.928 2.651 0.00 0.00 -0.268 OA ATOM 42 C LIG 1 -11.325 2.481 1.432 0.00 0.00 +0.132 C ENDBRANCH 29 40 BRANCH 30 43 ATOM 43 C LIG 1 -7.395 -1.048 1.364 0.00 0.00 +0.089 C ATOM 44 C LIG 1 -6.780 -1.614 2.652 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -6.690 -3.111 2.398 0.00 0.00 +0.002 C ATOM 46 C LIG 1 -6.300 -3.190 0.932 0.00 0.00 +0.002 C ATOM 47 C LIG 1 -7.131 -2.099 0.265 0.00 0.00 +0.025 C ENDBRANCH 30 43 ENDBRANCH 27 35 ENDBRANCH 1 27 TORSDOF 8