REMARK Name = BDB010461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.835 -0.459 -0.967 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.542 -0.259 -1.434 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.248 -0.483 -2.768 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.065 -0.242 -3.048 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.605 0.081 -1.899 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.143 -0.901 -3.677 0.00 0.00 -0.209 NA ATOM 7 C LIG 1 -2.365 -1.104 -3.157 0.00 0.00 +0.159 A ATOM 8 N LIG 1 0.665 0.115 -0.887 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.733 -0.903 -1.873 0.00 0.00 -0.213 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.918 0.342 -1.659 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.795 -0.871 -1.743 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.178 -0.561 -2.385 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.779 0.666 -1.951 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.881 1.784 -1.990 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.457 1.458 -2.460 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.897 -1.499 -0.356 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.100 -2.614 -0.042 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.147 -3.192 1.228 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.989 -2.664 2.203 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.777 -1.553 1.912 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.729 -0.971 0.643 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.205 -0.218 0.355 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.841 0.688 0.635 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -3.903 0.493 1.934 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.623 -0.382 0.708 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -3.945 -1.869 0.955 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.307 -2.603 2.164 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.662 -2.522 2.888 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.332 -2.262 1.528 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -3.431 -1.597 -4.114 0.00 0.00 +0.232 C BRANCH 30 31 ATOM 31 O LIG 1 -2.922 -1.871 -5.425 0.00 0.00 -0.387 OA ATOM 32 H LIG 1 -1.974 -1.624 -5.392 0.00 0.00 +0.210 HD ENDBRANCH 30 31 ENDBRANCH 7 30 BRANCH 8 33 ATOM 33 C LIG 1 0.945 0.397 0.514 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 0.399 1.727 0.991 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -0.085 1.832 2.305 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -0.586 3.043 2.788 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.605 4.182 1.972 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.089 4.089 0.672 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.411 2.877 0.189 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -1.127 5.497 2.500 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -2.125 5.344 3.414 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.160 6.228 3.119 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.638 6.299 1.524 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10