REMARK Name = LIG000156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.093 -0.649 -1.571 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -0.115 -1.346 -1.450 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -1.275 -0.862 -0.934 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 -1.288 0.407 -0.495 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -0.144 1.194 -0.575 0.00 0.00 +0.045 A ATOM 6 C LIG 1 1.037 0.666 -1.112 0.00 0.00 +0.028 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.157 -2.556 -0.942 0.00 0.00 +0.240 C ATOM 8 N LIG 1 4.933 -2.090 -1.376 0.00 0.00 -0.295 N ATOM 9 C LIG 1 4.566 -0.668 -1.497 0.00 0.00 +0.127 C ATOM 10 C LIG 1 3.416 -0.440 -2.492 0.00 0.00 +0.124 C ATOM 11 N LIG 1 2.233 -1.235 -2.121 0.00 0.00 -0.326 N ATOM 12 C LIG 1 2.509 -2.633 -1.696 0.00 0.00 +0.124 C ATOM 13 C LIG 1 3.973 -3.051 -1.932 0.00 0.00 +0.127 C ATOM 14 O LIG 1 6.524 -3.723 -1.037 0.00 0.00 -0.271 OA BRANCH 7 16 ATOM 15 C LIG 1 6.795 -1.000 0.818 0.00 0.00 +0.056 C ATOM 16 C LIG 1 7.092 -1.575 -0.355 0.00 0.00 +0.071 C BRANCH 15 17 ATOM 17 C LIG 1 7.664 0.002 1.479 0.00 0.00 +0.186 C ATOM 18 O LIG 1 7.137 0.937 2.076 0.00 0.00 -0.287 OA BRANCH 17 22 ATOM 19 C LIG 1 11.949 -0.200 1.312 0.00 0.00 +0.120 A ATOM 20 C LIG 1 11.198 -1.379 1.323 0.00 0.00 +0.046 A ATOM 21 C LIG 1 9.802 -1.339 1.380 0.00 0.00 +0.015 A ATOM 22 C LIG 1 9.143 -0.107 1.414 0.00 0.00 +0.022 A ATOM 23 C LIG 1 9.894 1.075 1.429 0.00 0.00 +0.015 A ATOM 24 C LIG 1 11.292 1.028 1.372 0.00 0.00 +0.046 A BRANCH 19 26 ATOM 25 C LIG 1 14.114 0.780 1.230 0.00 0.00 +0.277 C ATOM 26 O LIG 1 13.301 -0.387 1.247 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 17 22 ENDBRANCH 15 17 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 27 ATOM 27 N LIG 1 -2.450 0.987 0.042 0.00 0.00 -0.268 N ATOM 28 H LIG 1 -2.700 1.833 -0.449 0.00 0.00 +0.156 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.638 0.322 0.334 0.00 0.00 +0.222 A ATOM 30 N LIG 1 -4.762 0.991 0.043 0.00 0.00 -0.196 NA ATOM 31 C LIG 1 -5.951 0.412 0.326 0.00 0.00 +0.149 A ATOM 32 C LIG 1 -6.053 -0.826 0.939 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -7.359 -1.431 1.259 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -8.471 -0.758 0.894 0.00 0.00 +0.085 A ATOM 35 C LIG 1 -8.396 0.578 0.233 0.00 0.00 +0.264 A ATOM 36 O LIG 1 -9.446 1.154 -0.052 0.00 0.00 -0.267 OA ATOM 37 C LIG 1 -7.356 -2.750 1.993 0.00 0.00 +0.045 C ATOM 38 C LIG 1 -4.835 -1.419 1.213 0.00 0.00 +0.126 A ATOM 39 N LIG 1 -7.141 1.111 -0.024 0.00 0.00 -0.289 N ATOM 40 N LIG 1 -3.639 -0.869 0.938 0.00 0.00 -0.222 NA BRANCH 39 41 ATOM 41 C LIG 1 -7.018 2.429 -0.670 0.00 0.00 +0.092 C ATOM 42 C LIG 1 -7.726 2.539 -2.038 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -8.657 3.743 -1.930 0.00 0.00 +0.002 C ATOM 44 C LIG 1 -8.040 4.605 -0.841 0.00 0.00 +0.002 C ATOM 45 C LIG 1 -7.568 3.585 0.183 0.00 0.00 +0.025 C ENDBRANCH 39 41 BRANCH 34 46 ATOM 46 C LIG 1 -9.822 -1.345 1.150 0.00 0.00 +0.166 C ATOM 47 O LIG 1 -10.091 -2.488 0.777 0.00 0.00 -0.292 OA ATOM 48 C LIG 1 -10.837 -0.503 1.880 0.00 0.00 +0.092 C ENDBRANCH 34 46 ENDBRANCH 27 29 ENDBRANCH 4 27 TORSDOF 9