REMARK Name = BDB024645 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.208 0.043 -0.302 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.068 -0.703 0.027 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.318 -2.057 0.544 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.356 -2.070 2.076 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.332 -3.058 -0.049 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.906 -2.672 0.283 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.646 -1.207 0.065 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.309 -0.748 0.005 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.151 -1.480 0.084 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.840 -0.618 -0.014 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.355 0.669 -0.165 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.024 0.602 -0.142 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.036 1.558 -0.221 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.361 1.101 -0.155 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.697 -0.258 -0.040 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.347 -0.281 0.029 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.169 1.877 -0.292 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.961 2.606 -1.633 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.268 4.106 -1.551 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.395 4.417 -0.564 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -2.012 3.987 0.862 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.020 2.817 0.911 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.552 3.693 -0.999 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.775 4.316 -0.623 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.138 1.842 -1.492 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.969 1.124 -1.098 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.297 -0.975 0.032 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.535 -2.462 0.351 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.987 -2.850 0.098 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.293 -3.776 -0.915 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -5.618 -4.136 -1.168 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.639 -3.574 -0.413 0.00 0.00 +0.123 A ATOM 33 F LIG 1 -7.909 -3.921 -0.657 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.361 -2.658 0.594 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -5.038 -2.295 0.850 0.00 0.00 +0.007 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -2.128 -2.760 1.783 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -2.267 -2.025 2.751 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -1.626 -4.003 1.943 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -1.400 -4.044 2.894 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8