REMARK Name = BDB038490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.947 0.478 -0.410 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.209 1.259 -0.394 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.488 2.296 -0.967 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.149 0.594 0.519 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.432 0.972 0.866 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.136 0.163 1.771 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.522 -1.002 2.291 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.214 -1.375 1.925 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.541 -0.549 1.028 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.834 -0.680 0.456 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.340 0.251 -1.906 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.215 -0.061 -1.128 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -2.091 0.762 -1.183 0.00 0.00 +0.132 A ATOM 14 N LIG 1 -2.077 1.851 -1.974 0.00 0.00 -0.198 NA ATOM 15 C LIG 1 -3.158 2.111 -2.717 0.00 0.00 +0.215 A ATOM 16 C LIG 1 -4.307 1.363 -2.736 0.00 0.00 +0.077 A BRANCH 11 18 ATOM 17 C LIG 1 -6.439 -0.881 -0.861 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -5.511 -0.614 -1.855 0.00 0.00 +0.080 A ATOM 19 N LIG 1 -5.804 -1.520 -2.860 0.00 0.00 -0.266 N ATOM 20 C LIG 1 -5.119 -1.680 -4.125 0.00 0.00 +0.173 C ATOM 21 N LIG 1 -6.810 -2.359 -2.563 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -7.182 -1.982 -1.340 0.00 0.00 +0.146 A BRANCH 17 25 ATOM 23 C LIG 1 -5.610 2.062 0.455 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -6.253 0.943 1.084 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -6.691 -0.235 0.536 0.00 0.00 +0.167 A ATOM 26 N LIG 1 -7.464 -0.833 1.426 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -7.460 -0.097 2.583 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.732 0.969 2.362 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 BRANCH 15 29 ATOM 29 O LIG 1 -3.039 3.223 -3.481 0.00 0.00 -0.492 OA ATOM 30 H LIG 1 -2.130 3.490 -3.242 0.00 0.00 +0.294 HD ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 0.561 -2.615 2.473 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.350 -3.324 3.323 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.192 -3.478 1.486 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.580 -2.330 3.159 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.551 0.531 2.171 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 5.496 0.397 1.065 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 6.814 0.957 1.406 0.00 0.00 +0.091 C ATOM 38 C LIG 1 7.725 0.262 0.423 0.00 0.00 -0.015 C ATOM 39 C LIG 1 8.733 1.050 -0.386 0.00 0.00 +0.009 C ATOM 40 C LIG 1 9.206 0.140 0.710 0.00 0.00 +0.009 C ATOM 41 C LIG 1 6.976 -0.872 -0.217 0.00 0.00 +0.023 C ATOM 42 C LIG 1 5.742 -0.996 0.668 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 7