REMARK Name = BDB009429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.631 2.105 1.505 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.209 3.219 2.101 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.792 3.658 3.297 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.214 3.920 1.442 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.652 3.493 0.186 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.096 2.351 -0.417 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.069 1.665 0.249 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.330 2.360 -0.075 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.772 1.321 0.268 0.00 0.00 +0.248 C ATOM 10 N LIG 1 3.448 1.275 0.696 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.675 2.519 0.660 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.162 2.273 0.638 0.00 0.00 +0.127 C ATOM 13 N LIG 1 0.708 1.389 1.722 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.589 1.357 2.222 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.926 0.708 3.207 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.735 0.594 2.398 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.853 0.154 1.443 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.556 0.075 0.214 0.00 0.00 +0.056 A ATOM 19 C LIG 1 5.103 -1.068 -0.439 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.910 -2.214 -0.462 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.172 -2.156 0.173 0.00 0.00 +0.071 A ATOM 22 C LIG 1 7.968 -3.292 0.153 0.00 0.00 +0.028 A ATOM 23 C LIG 1 7.552 -4.471 -0.474 0.00 0.00 +0.002 A ATOM 24 C LIG 1 6.312 -4.522 -1.100 0.00 0.00 +0.001 A ATOM 25 N LIG 1 7.620 -1.043 0.783 0.00 0.00 -0.254 NA ATOM 26 C LIG 1 5.491 -3.397 -1.096 0.00 0.00 +0.010 A ATOM 27 C LIG 1 6.819 0.051 0.779 0.00 0.00 +0.124 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 -3.577 1.912 -1.784 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -3.769 0.407 -1.917 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -4.985 -0.225 -1.298 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -5.903 0.531 -0.579 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -5.473 1.229 0.025 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -7.112 -0.074 -0.027 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -6.858 -1.533 0.341 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -6.255 -2.304 -0.841 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -5.123 -1.548 -1.475 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -4.117 -2.308 -2.248 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -4.233 -3.513 -2.453 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -3.045 -1.591 -2.711 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -2.350 -2.098 -3.249 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -2.856 -0.251 -2.571 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4