REMARK Name = BDB024890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.639 -0.843 -0.235 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.746 0.167 0.167 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.267 1.417 0.775 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.003 2.279 -0.267 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.207 2.312 1.439 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.173 1.473 2.152 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.519 0.598 1.124 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.127 0.364 1.124 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.171 0.874 1.964 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.967 0.333 1.581 0.00 0.00 +0.135 A ATOM 11 N LIG 1 -0.794 -0.476 0.480 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.556 -0.492 0.188 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.329 -1.148 -0.773 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.711 -0.909 -0.767 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.323 -0.055 0.161 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.338 -1.928 -0.723 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.848 -1.206 -0.215 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.999 -0.805 -1.697 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.736 -1.866 -2.532 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.688 -2.711 -1.684 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.953 -3.460 -0.570 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.715 -2.725 -0.050 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.513 -1.204 -3.656 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.447 -0.434 -3.485 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.083 -1.546 -4.896 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.325 -2.159 -4.921 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.314 0.669 2.349 0.00 0.00 +0.091 C ATOM 28 C LIG 1 -3.184 -0.448 2.877 0.00 0.00 +0.036 C ATOM 29 C LIG 1 -2.295 0.286 3.825 0.00 0.00 +0.036 C BRANCH 27 30 ATOM 30 N LIG 1 -2.856 2.013 2.047 0.00 0.00 -0.317 N ATOM 31 H LIG 1 -2.113 2.705 1.978 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.741 2.180 0.958 0.00 0.00 +0.119 A ATOM 33 N LIG 1 -4.231 1.111 0.297 0.00 0.00 -0.241 NA ATOM 34 C LIG 1 -5.115 1.335 -0.705 0.00 0.00 +0.113 A ATOM 35 C LIG 1 -5.552 2.590 -1.085 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.062 3.684 -0.390 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.154 3.477 0.647 0.00 0.00 +0.043 A ENDBRANCH 30 32 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 39 ATOM 38 C LIG 1 7.891 -1.524 -0.327 0.00 0.00 +0.282 C ATOM 39 O LIG 1 6.942 -0.515 0.021 0.00 0.00 -0.453 OA ENDBRANCH 1 39 TORSDOF 7