REMARK Name = BDB038512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.619 -1.011 0.645 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.431 -0.297 0.846 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.646 -0.482 -0.014 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.558 -1.338 -1.048 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -0.565 -2.065 -1.264 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -1.658 -1.922 -0.415 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.849 0.232 0.173 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.964 0.140 -0.660 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.170 -0.483 -1.684 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.992 1.016 -0.080 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.475 1.603 1.068 0.00 0.00 -0.018 A ATOM 12 C LIG 1 4.242 2.482 1.811 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.543 2.754 1.371 0.00 0.00 +0.006 A ATOM 14 C LIG 1 6.070 2.151 0.204 0.00 0.00 -0.021 A ATOM 15 C LIG 1 5.274 1.267 -0.536 0.00 0.00 +0.019 A ATOM 16 C LIG 1 2.079 1.131 1.288 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 7.473 2.475 -0.238 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 O LIG 1 7.557 3.837 -0.635 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 6.709 4.069 -1.050 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 20 C LIG 1 -4.078 -0.453 1.020 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -2.793 -0.796 1.518 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -2.641 -0.955 2.913 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.717 -0.784 3.785 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.964 -0.461 3.274 0.00 0.00 +0.124 A ATOM 25 F LIG 1 -5.998 -0.303 4.110 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -5.155 -0.302 1.909 0.00 0.00 +0.050 A BRANCH 20 29 ATOM 27 C LIG 1 -2.992 1.790 -0.912 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.857 0.689 -1.237 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -4.362 -0.281 -0.405 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -5.173 -1.045 -1.115 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -5.164 -0.603 -2.416 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -4.368 0.437 -2.474 0.00 0.00 +0.225 A ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 5 33 ATOM 33 C LIG 1 -0.553 -2.996 -2.460 0.00 0.00 +0.038 C ATOM 34 C LIG 1 -1.782 -3.199 -3.315 0.00 0.00 +0.010 C ATOM 35 C LIG 1 -1.274 -4.322 -2.455 0.00 0.00 +0.010 C ENDBRANCH 5 33 TORSDOF 6