REMARK Name = BDB035178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.483 0.264 1.069 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.691 1.074 2.123 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -2.805 2.054 1.880 0.00 0.00 -0.201 N ATOM 4 C LIG 1 -2.124 1.850 0.715 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -1.164 2.837 0.353 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -1.059 3.894 1.194 0.00 0.00 +0.120 A ATOM 7 N LIG 1 -1.772 4.086 2.366 0.00 0.00 -0.243 NA ATOM 8 C LIG 1 -2.628 3.159 2.692 0.00 0.00 +0.225 A ATOM 9 N LIG 1 -2.545 0.733 0.165 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.177 -2.017 1.753 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.204 -0.970 0.845 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -4.956 -1.176 -0.310 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -5.616 -2.348 -0.514 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.521 -3.286 0.436 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -4.830 -3.184 1.573 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.084 -0.124 -1.398 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.909 1.121 -1.154 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.402 0.080 -2.112 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -3.467 -2.981 3.780 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -3.404 -1.871 2.892 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.319 2.762 -0.900 0.00 0.00 +0.075 C BRANCH 21 22 ATOM 22 C LIG 1 0.885 1.861 -0.743 0.00 0.00 -0.043 A ATOM 23 C LIG 1 2.118 2.383 -0.333 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.225 1.544 -0.164 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.122 0.169 -0.407 0.00 0.00 +0.017 A ATOM 26 C LIG 1 1.880 -0.354 -0.789 0.00 0.00 +0.012 A ATOM 27 C LIG 1 0.773 0.482 -0.960 0.00 0.00 +0.004 A BRANCH 25 28 ATOM 28 C LIG 1 4.257 -0.740 -0.235 0.00 0.00 +0.142 A ATOM 29 N LIG 1 5.535 -0.546 -0.709 0.00 0.00 -0.327 N ATOM 30 C LIG 1 6.321 -1.593 -0.334 0.00 0.00 +0.120 A ATOM 31 C LIG 1 5.476 -2.462 0.334 0.00 0.00 +0.162 A ATOM 32 N LIG 1 4.196 -1.918 0.370 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 5.798 -3.794 0.948 0.00 0.00 +0.436 C ATOM 34 F LIG 1 7.103 -4.135 0.755 0.00 0.00 -0.164 F ATOM 35 F LIG 1 5.057 -4.801 0.418 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.593 -3.808 2.291 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 6.033 0.594 -1.509 0.00 0.00 +0.089 C ATOM 38 C LIG 1 6.813 0.396 -2.789 0.00 0.00 +0.027 C ATOM 39 C LIG 1 5.431 0.972 -2.842 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8