REMARK Name = BDB035749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.687 -1.380 -0.062 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.159 -0.152 0.352 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.700 0.907 0.610 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.298 -0.317 0.432 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.252 0.614 0.801 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.595 0.212 0.796 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.926 -1.111 0.412 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.942 -2.046 0.039 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.618 -1.617 0.059 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.368 -2.361 -0.284 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.440 -1.058 -0.177 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -3.075 -0.761 0.022 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.062 -1.689 -0.259 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.448 -2.947 -0.743 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.793 -3.262 -0.949 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.783 -2.325 -0.671 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.507 -0.004 0.147 0.00 0.00 +0.233 C ATOM 18 F LIG 1 -4.920 1.202 0.447 0.00 0.00 -0.225 F BRANCH 17 21 ATOM 19 C LIG 1 -4.868 1.668 -2.402 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -6.101 0.978 -2.130 0.00 0.00 -0.318 N ATOM 21 C LIG 1 -6.425 0.229 -1.024 0.00 0.00 +0.178 A ATOM 22 N LIG 1 -7.660 -0.214 -1.173 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 -8.139 0.238 -2.377 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -7.194 0.951 -2.940 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 -6.285 -0.442 1.398 0.00 0.00 +0.202 C ATOM 26 C LIG 1 -5.525 -0.258 2.723 0.00 0.00 +0.206 C ATOM 27 O LIG 1 -6.531 0.642 3.242 0.00 0.00 -0.373 OA ATOM 28 C LIG 1 -7.230 0.628 1.975 0.00 0.00 +0.206 C ATOM 29 F LIG 1 -6.849 -1.672 1.242 0.00 0.00 -0.233 F ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.297 -3.447 -0.376 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.926 -3.711 -1.660 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.624 -3.731 -0.298 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.666 -4.383 0.387 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.691 1.183 1.177 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.487 1.527 0.000 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 4.888 2.017 -0.664 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.722 2.260 0.339 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.809 1.262 0.827 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.224 1.046 -0.643 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.543 2.387 -0.979 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.516 3.556 1.096 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8