REMARK Name = BDB064373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.048 0.317 -0.788 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.675 -0.040 -0.831 0.00 0.00 +0.140 A ATOM 3 O LIG 1 0.095 0.871 -1.497 0.00 0.00 -0.489 OA ATOM 4 C LIG 1 1.500 0.701 -1.593 0.00 0.00 +0.248 C ATOM 5 C LIG 1 2.137 0.476 -0.233 0.00 0.00 +0.149 C ATOM 6 N LIG 1 2.207 -0.954 0.054 0.00 0.00 -0.287 N ATOM 7 C LIG 1 1.113 -1.792 -0.138 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.238 -3.017 -0.176 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.270 -1.239 -0.229 0.00 0.00 +0.079 A ATOM 10 C LIG 1 -1.248 -2.071 0.369 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -2.607 -1.738 0.394 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -2.992 -0.523 -0.174 0.00 0.00 +0.017 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 3.532 -1.580 0.246 0.00 0.00 +0.114 C ATOM 14 C LIG 1 4.411 -0.869 1.253 0.00 0.00 +0.018 A ATOM 15 C LIG 1 5.774 -0.691 1.000 0.00 0.00 +0.126 A ATOM 16 C LIG 1 6.579 -0.014 1.915 0.00 0.00 +0.049 A ATOM 17 C LIG 1 6.043 0.456 3.117 0.00 0.00 +0.049 A ATOM 18 C LIG 1 4.696 0.248 3.408 0.00 0.00 +0.121 A ATOM 19 O LIG 1 6.396 -1.131 -0.138 0.00 0.00 -0.492 OA ATOM 20 C LIG 1 5.684 -2.159 -0.832 0.00 0.00 +0.231 C ATOM 21 C LIG 1 3.891 -0.419 2.479 0.00 0.00 +0.054 A ATOM 22 C LIG 1 4.250 -1.747 -1.096 0.00 0.00 +0.068 C BRANCH 18 23 ATOM 23 O LIG 1 4.047 0.642 4.546 0.00 0.00 -0.495 OA ATOM 24 C LIG 1 4.820 1.334 5.519 0.00 0.00 +0.277 C ENDBRANCH 18 23 ENDBRANCH 6 13 BRANCH 1 28 ATOM 25 N LIG 1 -3.667 2.946 -2.630 0.00 0.00 -0.271 N ATOM 26 N LIG 1 -2.885 3.759 -1.899 0.00 0.00 -0.167 NA ATOM 27 C LIG 1 -2.167 2.924 -1.115 0.00 0.00 +0.173 A ATOM 28 C LIG 1 -2.527 1.565 -1.367 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -3.501 1.625 -2.341 0.00 0.00 +0.117 A BRANCH 27 30 ATOM 30 C LIG 1 -1.149 3.430 -0.127 0.00 0.00 +0.437 C ATOM 31 F LIG 1 0.076 3.619 -0.692 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -0.960 2.572 0.917 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -1.503 4.620 0.434 0.00 0.00 -0.164 F ENDBRANCH 27 30 BRANCH 25 35 ATOM 34 C LIG 1 -5.919 3.866 -3.013 0.00 0.00 +0.029 C ATOM 35 C LIG 1 -4.572 3.508 -3.614 0.00 0.00 +0.140 C ENDBRANCH 25 35 ENDBRANCH 1 28 BRANCH 11 36 ATOM 36 C LIG 1 -3.604 -2.653 1.063 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 N LIG 1 -4.756 -2.929 0.221 0.00 0.00 -0.332 N ATOM 38 C LIG 1 -4.752 -3.666 -0.929 0.00 0.00 +0.199 A ATOM 39 N LIG 1 -5.954 -3.741 -1.454 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 -6.766 -3.036 -0.603 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -6.043 -2.525 0.449 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7