REMARK Name = BDB054641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.176 -1.323 -0.608 0.00 0.00 +0.164 A ATOM 2 C LIG 1 1.123 -1.952 -1.267 0.00 0.00 +0.167 A ATOM 3 F LIG 1 1.369 -2.928 -2.153 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.199 -1.594 -1.013 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.488 -0.579 -0.095 0.00 0.00 +0.037 A ATOM 6 C LIG 1 0.569 0.069 0.552 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.897 -0.295 0.293 0.00 0.00 +0.051 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.849 -0.271 0.111 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.514 -0.820 -0.437 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -2.389 0.666 0.970 0.00 0.00 +0.255 C ATOM 11 O LIG 1 -1.755 1.389 1.731 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -3.869 0.734 0.928 0.00 0.00 +0.123 A ATOM 13 C LIG 1 -4.765 -0.180 0.172 0.00 0.00 +0.284 A ATOM 14 O LIG 1 -4.334 -1.065 -0.555 0.00 0.00 -0.265 OA ATOM 15 N LIG 1 -6.078 0.232 0.417 0.00 0.00 -0.217 N ATOM 16 N LIG 1 -6.053 1.336 1.313 0.00 0.00 -0.283 N ATOM 17 C LIG 1 -6.930 1.168 2.487 0.00 0.00 +0.171 C ATOM 18 C LIG 1 -4.692 1.601 1.549 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -4.305 2.756 2.419 0.00 0.00 +0.066 C BRANCH 15 20 ATOM 20 C LIG 1 -7.188 -0.010 -0.434 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -7.252 -1.171 -1.217 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -8.345 -1.415 -2.056 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -9.389 -0.499 -2.129 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -9.341 0.663 -1.365 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -8.248 0.905 -0.526 0.00 0.00 +0.028 A ENDBRANCH 15 20 ENDBRANCH 10 12 ENDBRANCH 5 8 BRANCH 1 26 ATOM 26 O LIG 1 3.454 -1.712 -0.939 0.00 0.00 -0.452 OA BRANCH 26 35 ATOM 27 C LIG 1 7.942 0.402 0.076 0.00 0.00 +0.164 A ATOM 28 C LIG 1 7.043 0.571 -0.990 0.00 0.00 +0.162 A ATOM 29 C LIG 1 5.854 -0.161 -0.999 0.00 0.00 +0.063 A ATOM 30 C LIG 1 5.549 -1.063 0.045 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.455 -1.232 1.107 0.00 0.00 +0.078 A ATOM 32 N LIG 1 6.226 -2.079 2.127 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 5.086 -2.804 2.120 0.00 0.00 +0.115 A ATOM 34 C LIG 1 4.130 -2.717 1.132 0.00 0.00 +0.066 A ATOM 35 C LIG 1 4.362 -1.819 0.096 0.00 0.00 +0.139 A ATOM 36 C LIG 1 7.632 -0.497 1.103 0.00 0.00 +0.077 A BRANCH 27 38 ATOM 37 C LIG 1 10.028 1.001 1.078 0.00 0.00 +0.277 C ATOM 38 O LIG 1 9.090 1.154 0.023 0.00 0.00 -0.491 OA ENDBRANCH 27 38 BRANCH 28 39 ATOM 39 O LIG 1 7.412 1.468 -1.960 0.00 0.00 -0.491 OA ATOM 40 C LIG 1 6.540 1.642 -3.067 0.00 0.00 +0.277 C ENDBRANCH 28 39 ENDBRANCH 26 35 ENDBRANCH 1 26 TORSDOF 7