REMARK Name = LIG000903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.878 -0.954 -2.832 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -2.890 -1.399 -1.506 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.802 -1.143 -0.642 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.678 -0.449 -1.125 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.663 -0.044 -2.470 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.743 -0.300 -3.319 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -6.920 -0.348 -0.227 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -5.971 -0.470 -1.260 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -6.206 -1.300 -2.360 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -7.463 -1.938 -2.478 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -7.804 -2.647 -3.655 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -8.717 -3.070 -3.747 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -7.011 -2.714 -4.793 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -5.706 -2.094 -4.657 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -4.744 -1.972 -5.608 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -3.715 -1.346 -5.050 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -3.958 -1.219 -3.714 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -7.410 -3.274 -5.809 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -8.409 -1.833 -1.461 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -5.293 -1.497 -3.479 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -8.130 -1.051 -0.338 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -6.202 2.148 3.103 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -7.266 2.415 2.318 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -7.462 1.589 1.262 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -6.649 0.502 0.938 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.557 0.268 1.780 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.328 1.098 2.877 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -6.858 4.013 4.353 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -5.936 2.938 4.203 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 0.411 -0.204 -0.277 0.00 0.00 -0.326 N ATOM 31 C LIG 1 0.782 1.225 -0.113 0.00 0.00 +0.124 C ATOM 32 C LIG 1 2.213 1.535 -0.586 0.00 0.00 +0.127 C ATOM 33 N LIG 1 3.215 0.655 0.024 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.497 1.139 0.202 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.860 2.240 -0.207 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 2.777 -0.721 0.307 0.00 0.00 +0.127 C ATOM 37 C LIG 1 1.544 -1.129 -0.520 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 5.447 0.267 0.933 0.00 0.00 +0.071 C ATOM 39 C LIG 1 6.763 0.490 0.816 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 7.708 -0.389 1.549 0.00 0.00 +0.186 C ATOM 41 O LIG 1 7.323 -1.413 2.106 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 9.152 -0.024 1.557 0.00 0.00 +0.022 A ATOM 43 C LIG 1 10.088 -1.053 1.722 0.00 0.00 +0.012 A ATOM 44 C LIG 1 11.455 -0.768 1.737 0.00 0.00 +0.004 A ATOM 45 C LIG 1 11.905 0.550 1.608 0.00 0.00 -0.050 A ATOM 46 C LIG 1 13.374 0.856 1.592 0.00 0.00 +0.044 C ATOM 47 C LIG 1 10.968 1.577 1.448 0.00 0.00 +0.004 A ATOM 48 C LIG 1 9.598 1.296 1.431 0.00 0.00 +0.012 A ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 49 ATOM 49 C LIG 1 -1.861 -1.613 0.793 0.00 0.00 +0.419 C ATOM 50 F LIG 1 -0.880 -2.498 1.125 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -3.032 -2.262 1.080 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -1.799 -0.599 1.702 0.00 0.00 -0.166 F ENDBRANCH 3 49 TORSDOF 8