REMARK Name = BDB014924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.767 6.061 0.167 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -5.341 4.719 -0.149 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.869 3.982 0.293 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.000 4.442 -0.237 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.702 3.112 -0.496 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.262 2.801 -0.571 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -2.046 1.330 -0.537 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.860 0.564 -0.395 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.141 -0.743 -0.432 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.478 -0.820 -0.575 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -3.061 0.405 -0.665 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.495 0.743 -0.826 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.612 2.222 -1.253 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -3.139 5.304 -0.084 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -3.119 -2.132 -0.607 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -2.525 -3.039 -1.696 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.577 -4.053 -1.078 0.00 0.00 +0.162 C ATOM 18 O LIG 1 -2.248 -4.914 -0.157 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -3.255 -4.295 0.642 0.00 0.00 +0.162 C ATOM 20 C LIG 1 -3.084 -2.792 0.779 0.00 0.00 +0.055 C ENDBRANCH 10 15 BRANCH 8 21 ATOM 21 N LIG 1 0.358 1.139 -0.255 0.00 0.00 -0.296 N ATOM 22 H LIG 1 0.415 2.155 -0.260 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.645 0.586 -0.061 0.00 0.00 +0.068 A ATOM 24 C LIG 1 2.746 1.457 -0.002 0.00 0.00 +0.145 A ATOM 25 F LIG 1 2.537 2.778 -0.128 0.00 0.00 -0.204 F ATOM 26 C LIG 1 4.052 1.004 0.177 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.294 -0.364 0.303 0.00 0.00 -0.012 A ATOM 28 C LIG 1 3.213 -1.252 0.243 0.00 0.00 +0.010 A ATOM 29 C LIG 1 1.905 -0.781 0.063 0.00 0.00 +0.027 A BRANCH 27 30 ATOM 30 C LIG 1 5.642 -0.861 0.489 0.00 0.00 +0.032 A ATOM 31 C LIG 1 6.655 -0.517 1.435 0.00 0.00 +0.173 A ATOM 32 N LIG 1 7.777 -1.236 1.215 0.00 0.00 -0.167 NA ATOM 33 N LIG 1 7.473 -2.020 0.168 0.00 0.00 -0.273 N ATOM 34 C LIG 1 8.465 -2.937 -0.341 0.00 0.00 +0.172 C ATOM 35 C LIG 1 6.209 -1.838 -0.301 0.00 0.00 +0.117 A BRANCH 31 36 ATOM 36 C LIG 1 6.544 0.491 2.548 0.00 0.00 +0.437 C ATOM 37 F LIG 1 7.551 0.409 3.460 0.00 0.00 -0.164 F ATOM 38 F LIG 1 5.384 0.354 3.248 0.00 0.00 -0.164 F ATOM 39 F LIG 1 6.557 1.768 2.073 0.00 0.00 -0.164 F ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5