REMARK Name = BDB049367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.043 -1.088 -0.708 0.00 0.00 +0.038 A ATOM 2 N LIG 1 -0.708 0.060 -0.889 0.00 0.00 -0.341 N ATOM 3 C LIG 1 -2.058 -0.253 -0.931 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -2.166 -1.642 -0.825 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -3.449 -2.233 -0.856 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -4.589 -1.427 -0.984 0.00 0.00 -0.012 A ATOM 7 C LIG 1 -4.452 -0.041 -1.085 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.192 0.567 -1.059 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.847 -2.153 -0.697 0.00 0.00 +0.080 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.901 -2.038 -1.021 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.922 -1.773 -0.136 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.081 -0.893 1.038 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -8.004 -2.531 -0.462 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.709 -3.316 -1.559 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.446 -3.020 -1.891 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.806 -3.692 -3.046 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 9 17 ATOM 17 C LIG 1 -0.486 -3.532 -0.561 0.00 0.00 +0.102 C ATOM 18 N LIG 1 -0.180 -4.646 -0.448 0.00 0.00 -0.191 NA ENDBRANCH 9 17 BRANCH 1 19 ATOM 19 C LIG 1 1.540 -1.112 -0.560 0.00 0.00 +0.059 C BRANCH 19 20 ATOM 20 C LIG 1 1.964 -1.324 0.899 0.00 0.00 +0.041 C BRANCH 20 24 ATOM 21 C LIG 1 6.251 -0.958 1.319 0.00 0.00 +0.120 A ATOM 22 C LIG 1 5.416 0.127 1.595 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.030 0.012 1.469 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.457 -1.199 1.064 0.00 0.00 -0.047 A ATOM 25 C LIG 1 4.296 -2.285 0.784 0.00 0.00 +0.007 A ATOM 26 C LIG 1 5.684 -2.166 0.912 0.00 0.00 +0.046 A BRANCH 21 28 ATOM 27 C LIG 1 8.475 -1.791 1.241 0.00 0.00 +0.277 C ATOM 28 O LIG 1 7.585 -0.708 1.481 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 2 29 ATOM 29 C LIG 1 -0.185 1.416 -1.041 0.00 0.00 +0.137 C BRANCH 29 30 ATOM 30 C LIG 1 0.009 2.113 0.312 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 N LIG 1 0.466 3.511 0.190 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 1.865 3.601 -0.289 0.00 0.00 +0.112 C ATOM 33 C LIG 1 2.366 5.055 -0.308 0.00 0.00 +0.175 C ATOM 34 O LIG 1 2.271 5.652 0.991 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 0.911 5.628 1.441 0.00 0.00 +0.175 C ATOM 36 C LIG 1 0.380 4.188 1.507 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9