REMARK Name = BDB035506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.707 -1.864 -0.269 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.101 -0.736 0.297 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.526 0.384 0.511 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.266 -1.127 0.668 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.259 -0.357 1.245 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.493 -0.967 1.514 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.687 -2.328 1.175 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.664 -3.098 0.588 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.449 -2.465 0.342 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.194 -3.007 -0.261 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.155 -0.879 -1.431 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -2.841 -0.811 -0.917 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -2.025 -1.944 -0.798 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.548 -3.171 -1.230 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.842 -3.264 -1.747 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.641 -2.128 -1.845 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.052 0.371 -1.556 0.00 0.00 +0.220 C ATOM 18 F LIG 1 -6.314 -0.034 -1.957 0.00 0.00 -0.223 F BRANCH 17 21 ATOM 19 C LIG 1 -6.773 2.464 -3.094 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -5.368 2.227 -3.290 0.00 0.00 -0.317 N ATOM 21 C LIG 1 -4.564 1.315 -2.644 0.00 0.00 +0.180 A ATOM 22 N LIG 1 -3.339 1.443 -3.127 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 -3.344 2.429 -4.082 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -4.568 2.890 -4.169 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 -5.200 1.086 -0.196 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -6.244 0.705 0.668 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -6.413 1.325 1.907 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.538 2.331 2.308 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.491 2.715 1.473 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.321 2.099 0.232 0.00 0.00 +0.007 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.868 -4.545 0.231 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.959 -5.358 0.837 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.734 -4.772 -1.104 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.093 -5.028 0.575 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.619 -0.160 2.125 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.267 0.661 1.103 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.452 0.080 0.286 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 6.449 1.370 1.621 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.200 1.969 0.393 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.505 1.414 1.003 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.643 0.383 1.761 0.00 0.00 +0.022 C ATOM 42 C LIG 1 6.169 2.351 2.745 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8