REMARK Name = LIG000836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.449 -1.652 -2.057 0.00 0.00 +0.016 C ATOM 2 C LIG 1 -7.199 -0.358 -1.815 0.00 0.00 -0.011 C ATOM 3 C LIG 1 -7.965 0.351 -0.762 0.00 0.00 +0.162 C ATOM 4 O LIG 1 -9.172 0.162 -0.638 0.00 0.00 -0.292 OA ATOM 5 C LIG 1 -7.147 1.214 0.187 0.00 0.00 +0.060 C ATOM 6 C LIG 1 -8.079 2.170 0.945 0.00 0.00 +0.016 C ATOM 7 C LIG 1 -5.961 1.998 -0.477 0.00 0.00 +0.006 C ATOM 8 C LIG 1 -5.022 2.462 0.673 0.00 0.00 +0.005 C ATOM 9 C LIG 1 -3.519 2.328 0.468 0.00 0.00 +0.005 C ATOM 10 C LIG 1 -3.047 1.018 -0.202 0.00 0.00 +0.003 C ATOM 11 C LIG 1 -2.209 0.037 0.724 0.00 0.00 -0.008 C ATOM 12 C LIG 1 -1.805 -1.209 -0.090 0.00 0.00 -0.063 C ATOM 13 C LIG 1 -0.608 -2.061 0.358 0.00 0.00 +0.031 C ATOM 14 C LIG 1 0.617 -1.203 0.792 0.00 0.00 +0.053 C ATOM 15 C LIG 1 0.155 -0.122 1.794 0.00 0.00 +0.017 C ATOM 16 C LIG 1 1.721 -2.091 1.427 0.00 0.00 +0.017 C ATOM 17 C LIG 1 1.224 -3.111 2.449 0.00 0.00 +0.007 C ATOM 18 C LIG 1 0.090 -4.005 1.920 0.00 0.00 -0.034 C ATOM 19 C LIG 1 0.597 -4.950 0.814 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -0.441 -4.875 3.076 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -1.051 -3.105 1.406 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -2.422 -1.534 -1.246 0.00 0.00 -0.026 C ATOM 23 C LIG 1 -3.562 -0.788 -1.869 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.058 -0.386 1.946 0.00 0.00 +0.016 C ATOM 25 C LIG 1 -0.937 0.783 1.214 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -4.189 0.259 -0.933 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -5.207 1.227 -1.619 0.00 0.00 -0.021 C ATOM 28 C LIG 1 -4.499 2.234 -2.571 0.00 0.00 +0.012 C ATOM 29 C LIG 1 -6.227 0.499 -2.541 0.00 0.00 +0.045 C ENDROOT BRANCH 14 30 ATOM 30 C LIG 1 1.259 -0.540 -0.462 0.00 0.00 +0.220 C ATOM 31 N LIG 1 2.248 0.391 -0.206 0.00 0.00 -0.313 N ATOM 32 H LIG 1 2.775 0.285 0.660 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 0.951 -0.834 -1.616 0.00 0.00 -0.275 OA BRANCH 31 34 ATOM 34 C LIG 1 2.996 0.992 -1.296 0.00 0.00 +0.123 C BRANCH 34 35 ATOM 35 C LIG 1 4.145 0.098 -1.782 0.00 0.00 +0.124 C BRANCH 35 36 ATOM 36 N LIG 1 5.398 0.277 -1.054 0.00 0.00 -0.298 N ATOM 37 H LIG 1 6.224 -0.007 -1.563 0.00 0.00 +0.150 HD ATOM 38 C LIG 1 5.520 0.057 0.284 0.00 0.00 +0.304 C ATOM 39 N LIG 1 6.777 0.126 0.807 0.00 0.00 -0.269 N ATOM 40 H LIG 1 6.813 -0.277 1.736 0.00 0.00 +0.156 HD ATOM 41 O LIG 1 4.578 -0.236 1.016 0.00 0.00 -0.253 OA BRANCH 39 42 ATOM 42 C LIG 1 7.968 0.706 0.333 0.00 0.00 +0.035 A ATOM 43 C LIG 1 9.151 0.361 0.994 0.00 0.00 +0.027 A ATOM 44 C LIG 1 10.375 0.903 0.590 0.00 0.00 +0.047 A ATOM 45 C LIG 1 10.437 1.811 -0.467 0.00 0.00 +0.120 A ATOM 46 C LIG 1 9.258 2.180 -1.110 0.00 0.00 +0.047 A ATOM 47 C LIG 1 8.029 1.636 -0.707 0.00 0.00 +0.027 A BRANCH 45 48 ATOM 48 O LIG 1 11.692 2.265 -0.760 0.00 0.00 -0.495 OA ATOM 49 C LIG 1 11.806 3.199 -1.826 0.00 0.00 +0.277 C ENDBRANCH 45 48 ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 14 30 TORSDOF 6