REMARK Name = BDB035404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.648 -0.276 -0.671 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.360 -0.831 -1.467 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.334 -1.278 -2.599 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.594 -0.811 -0.671 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.856 -1.252 -1.023 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.881 -1.142 -0.073 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.601 -0.572 1.192 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.310 -0.121 1.532 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.312 -0.258 0.572 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.134 0.117 0.635 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.288 0.656 -0.447 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -2.920 0.484 -0.133 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.013 -0.103 -1.031 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.506 -0.505 -2.276 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.853 -0.332 -2.613 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.737 0.247 -1.707 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.214 1.309 0.573 0.00 0.00 +0.216 C BRANCH 17 20 ATOM 18 C LIG 1 -6.604 -1.395 1.387 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.783 -0.564 2.226 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -5.180 0.628 1.909 0.00 0.00 +0.167 A ATOM 21 N LIG 1 -4.525 1.057 2.975 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 -4.702 0.145 3.987 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.457 -0.821 3.522 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 O LIG 1 -6.583 1.300 0.138 0.00 0.00 -0.361 OA BRANCH 24 25 ATOM 25 C LIG 1 -7.088 2.607 -0.202 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -7.748 3.367 0.913 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -8.584 2.736 -0.163 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.012 0.470 2.885 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.120 0.671 3.648 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.392 1.678 2.796 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.185 -0.323 3.618 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.284 -1.594 -0.417 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.988 -0.545 -1.153 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.877 0.335 -0.652 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.387 -0.904 -1.440 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.099 0.388 -1.943 0.00 0.00 +0.022 C ATOM 37 C LIG 1 9.259 0.043 -0.984 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.248 -0.775 -0.152 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.567 -2.122 -2.329 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9