REMARK Name = BDB007036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.481 -0.154 -1.452 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.034 -1.050 -0.549 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.400 -1.379 -0.453 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.601 -2.314 0.554 0.00 0.00 -0.001 A ATOM 5 C LIG 1 3.881 -2.758 0.798 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.947 -2.316 0.097 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 4.733 -1.392 -0.882 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.312 -2.719 1.213 0.00 0.00 +0.009 C ATOM 9 C LIG 1 0.956 -4.169 0.863 0.00 0.00 +0.017 C ATOM 10 C LIG 1 1.351 -2.529 2.731 0.00 0.00 +0.017 C ATOM 11 C LIG 1 3.464 -0.904 -1.194 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.319 -1.729 0.549 0.00 0.00 +0.124 C ATOM 13 O LIG 1 1.121 0.448 -2.319 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.040 0.066 -1.364 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.510 4.299 1.154 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.204 2.938 1.170 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.660 3.147 1.208 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -2.938 3.665 0.375 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.329 1.835 1.184 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.930 0.933 -0.028 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.443 0.770 -0.121 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -0.780 2.099 -0.060 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.667 -0.440 0.113 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -5.136 -0.361 0.254 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -5.689 -1.685 0.619 0.00 0.00 +0.112 C ATOM 26 C LIG 1 -7.222 -1.649 0.717 0.00 0.00 +0.175 C ATOM 27 O LIG 1 -7.807 -1.218 -0.519 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -7.325 0.088 -0.856 0.00 0.00 +0.175 C ATOM 29 C LIG 1 -5.793 0.099 -0.990 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 5.946 -0.903 -1.643 0.00 0.00 +0.093 C BRANCH 30 31 ATOM 31 C LIG 1 6.325 0.526 -1.343 0.00 0.00 -0.006 A ATOM 32 C LIG 1 7.114 0.832 -0.231 0.00 0.00 +0.127 A ATOM 33 F LIG 1 7.568 -0.149 0.562 0.00 0.00 -0.205 F ATOM 34 C LIG 1 7.457 2.147 0.074 0.00 0.00 +0.038 A ATOM 35 C LIG 1 7.006 3.185 -0.738 0.00 0.00 +0.003 A ATOM 36 C LIG 1 6.216 2.901 -1.852 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.876 1.580 -2.154 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6