REMARK Name = BDB050514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.143 1.009 -1.058 0.00 0.00 -0.283 N ATOM 2 C LIG 1 1.364 0.510 -0.512 0.00 0.00 +0.039 A ATOM 3 C LIG 1 2.613 1.063 -0.857 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.796 0.555 -0.290 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.768 -0.482 0.653 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.533 -1.018 1.046 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.728 2.173 -1.867 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.394 2.866 -2.079 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.356 -0.514 0.456 0.00 0.00 +0.033 A ATOM 10 C LIG 1 0.318 1.814 -2.279 0.00 0.00 +0.113 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -5.428 3.888 1.859 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -4.034 3.665 1.332 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -3.813 2.525 0.570 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -2.452 2.384 0.009 0.00 0.00 +0.148 C ATOM 15 C LIG 1 -2.233 1.003 -0.491 0.00 0.00 +0.033 A ATOM 16 C LIG 1 -1.061 0.370 -0.968 0.00 0.00 +0.152 A ATOM 17 N LIG 1 -1.310 -0.899 -1.313 0.00 0.00 -0.155 NA ATOM 18 N LIG 1 -2.610 -1.095 -1.021 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -3.212 0.036 -0.560 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -4.618 0.238 -0.141 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -4.901 1.755 -0.074 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -3.142 4.475 1.589 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -3.200 -2.396 -1.213 0.00 0.00 +0.135 C ATOM 24 C LIG 1 -2.463 -3.541 -0.540 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -2.897 -4.738 -1.214 0.00 0.00 -0.378 OA ATOM 26 C LIG 1 -3.459 -4.361 -2.481 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.245 -2.870 -2.651 0.00 0.00 +0.057 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 5.023 -0.957 1.199 0.00 0.00 +0.020 A ATOM 29 C LIG 1 5.911 -0.170 1.901 0.00 0.00 +0.116 A ATOM 30 N LIG 1 6.950 -0.987 2.242 0.00 0.00 -0.274 N ATOM 31 C LIG 1 8.129 -0.626 2.992 0.00 0.00 +0.172 C ATOM 32 N LIG 1 6.800 -2.253 1.813 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 5.630 -2.232 1.168 0.00 0.00 +0.142 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 2.424 -2.119 2.070 0.00 0.00 +0.372 C ATOM 35 F LIG 1 1.156 -2.296 2.545 0.00 0.00 -0.204 F ATOM 36 F LIG 1 2.795 -3.332 1.572 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 4