REMARK Name = BDB009503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.849 -0.459 0.675 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.749 -0.015 1.994 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.263 0.775 2.386 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.690 -0.387 2.951 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.756 -1.213 2.596 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.894 -1.665 1.276 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.925 -1.294 0.327 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.021 -0.558 -1.512 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.135 -0.093 -0.383 0.00 0.00 +0.247 C ATOM 10 N LIG 1 1.156 0.768 -0.036 0.00 0.00 -0.308 N ATOM 11 H LIG 1 1.254 1.040 0.936 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 2.218 1.127 -0.973 0.00 0.00 +0.076 C ATOM 13 C LIG 1 2.837 2.474 -0.577 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.277 2.583 -1.053 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.111 1.534 -0.471 0.00 0.00 -0.297 N ATOM 16 C LIG 1 6.488 1.748 -0.440 0.00 0.00 +0.247 C ATOM 17 O LIG 1 7.031 2.725 -0.951 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.468 0.245 -0.193 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.262 0.005 -1.094 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.355 0.765 0.244 0.00 0.00 +0.040 A ATOM 21 C LIG 1 7.115 0.398 1.567 0.00 0.00 +0.033 A ATOM 22 C LIG 1 7.984 -0.507 2.145 0.00 0.00 +0.111 A ATOM 23 N LIG 1 9.046 -1.042 1.504 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 9.267 -0.639 0.233 0.00 0.00 +0.111 A ATOM 25 C LIG 1 8.460 0.260 -0.437 0.00 0.00 +0.033 A ENDBRANCH 16 20 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -4.040 -2.583 0.907 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.755 -2.202 -0.383 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.710 -1.039 -0.372 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.906 -0.264 0.768 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -5.092 -0.221 1.376 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -6.615 1.010 0.670 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -7.808 0.855 -0.269 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.369 0.314 -1.636 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.364 -0.798 -1.519 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.095 -1.615 -2.722 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -6.670 -1.406 -3.786 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -5.161 -2.607 -2.579 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -4.959 -3.176 -3.395 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.501 -2.927 -1.432 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5