REMARK Name = LIG001960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.652 1.597 -2.209 0.00 0.00 +0.123 C ATOM 2 C LIG 1 -0.736 1.724 -3.697 0.00 0.00 +0.058 C ATOM 3 C LIG 1 0.377 2.103 -4.320 0.00 0.00 +0.073 C ATOM 4 N LIG 1 1.544 2.352 -3.655 0.00 0.00 -0.316 N ATOM 5 H LIG 1 2.366 2.209 -4.228 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 1.730 1.859 -2.299 0.00 0.00 +0.266 C ATOM 7 N LIG 1 0.471 1.662 -1.573 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 2.606 0.687 -2.151 0.00 0.00 -0.263 NA ATOM 9 C LIG 1 4.016 0.992 -2.478 0.00 0.00 +0.107 C ATOM 10 C LIG 1 4.972 1.169 -1.273 0.00 0.00 +0.120 C ATOM 11 N LIG 1 4.955 -0.020 -0.410 0.00 0.00 -0.327 N ATOM 12 C LIG 1 3.702 -0.796 -0.401 0.00 0.00 +0.120 C ATOM 13 C LIG 1 2.503 0.095 -0.797 0.00 0.00 +0.107 C BRANCH 11 14 ATOM 14 C LIG 1 6.020 -0.347 0.410 0.00 0.00 +0.030 A ATOM 15 C LIG 1 6.174 -1.640 0.938 0.00 0.00 +0.035 A ATOM 16 C LIG 1 7.255 -1.996 1.769 0.00 0.00 +0.057 A ATOM 17 C LIG 1 8.207 -1.026 2.096 0.00 0.00 +0.012 A ATOM 18 C LIG 1 8.084 0.261 1.588 0.00 0.00 +0.002 A ATOM 19 C LIG 1 7.007 0.588 0.756 0.00 0.00 +0.023 A BRANCH 16 20 ATOM 20 C LIG 1 7.357 -3.395 2.318 0.00 0.00 +0.417 C ATOM 21 F LIG 1 8.625 -3.745 2.675 0.00 0.00 -0.166 F ATOM 22 F LIG 1 6.948 -4.348 1.433 0.00 0.00 -0.166 F ATOM 23 F LIG 1 6.594 -3.572 3.433 0.00 0.00 -0.166 F ENDBRANCH 16 20 ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.851 1.364 -1.551 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -2.671 1.274 -2.134 0.00 0.00 +0.154 HD BRANCH 24 31 ATOM 26 N LIG 1 -5.140 -0.469 0.749 0.00 0.00 -0.282 N ATOM 27 C LIG 1 -4.785 0.117 1.953 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -5.360 0.057 3.022 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -3.553 0.875 1.709 0.00 0.00 +0.043 A ATOM 30 C LIG 1 -3.259 0.815 0.344 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -2.141 1.460 -0.179 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -1.321 2.124 0.750 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -1.631 2.179 2.126 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -2.769 1.551 2.620 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -4.299 -0.007 -0.344 0.00 0.00 +0.146 C BRANCH 26 42 ATOM 36 O LIG 1 -10.392 -2.108 1.058 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -9.204 -1.812 0.977 0.00 0.00 +0.219 C ATOM 38 N LIG 1 -8.815 -0.543 0.628 0.00 0.00 -0.255 N ATOM 39 H LIG 1 -9.561 0.122 0.477 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 -7.547 -0.103 0.322 0.00 0.00 +0.240 C ATOM 41 O LIG 1 -7.378 1.013 -0.168 0.00 0.00 -0.273 OA ATOM 42 C LIG 1 -6.417 -1.130 0.497 0.00 0.00 +0.163 C ATOM 43 C LIG 1 -6.795 -2.171 1.550 0.00 0.00 +0.041 C ATOM 44 C LIG 1 -8.105 -2.834 1.155 0.00 0.00 +0.098 C ENDBRANCH 26 42 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 6