REMARK Name = BDB041184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.409 -0.954 -1.329 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.110 -1.763 -1.662 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.255 -1.811 -2.632 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.790 -1.218 -1.459 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -2.625 -0.823 -0.481 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.944 -1.005 -0.654 0.00 0.00 +0.164 A ATOM 7 N LIG 1 -4.484 -1.581 -1.748 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.622 -1.967 -2.710 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.866 -0.607 0.427 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -4.644 0.454 1.321 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -3.566 1.395 1.327 0.00 0.00 -0.332 N ATOM 12 C LIG 1 -3.683 2.056 2.644 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -5.124 1.908 3.139 0.00 0.00 +0.056 C ATOM 14 C LIG 1 -3.602 2.285 0.167 0.00 0.00 +0.129 C ATOM 15 C LIG 1 -5.553 0.709 2.367 0.00 0.00 -0.024 A ATOM 16 C LIG 1 -6.708 -0.032 2.550 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.959 -1.073 1.667 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.055 -1.352 0.628 0.00 0.00 +0.013 A ENDBRANCH 6 9 BRANCH 3 20 ATOM 19 C LIG 1 -1.840 -2.685 -4.801 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -1.333 -2.198 -3.565 0.00 0.00 -0.490 OA ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.005 -0.535 0.005 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 1.501 -0.385 0.043 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.146 0.531 -0.801 0.00 0.00 +0.006 A ATOM 24 C LIG 1 3.536 0.673 -0.771 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.309 -0.087 0.114 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.667 -1.016 0.943 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.277 -1.161 0.914 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 5.768 0.038 0.173 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.473 1.218 0.289 0.00 0.00 -0.333 N ATOM 30 C LIG 1 5.929 2.546 0.448 0.00 0.00 +0.150 C ATOM 31 C LIG 1 7.809 0.920 0.303 0.00 0.00 +0.119 A ATOM 32 C LIG 1 7.891 -0.459 0.229 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.608 -0.983 0.172 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 9.117 -1.324 0.230 0.00 0.00 +0.436 C ATOM 35 F LIG 1 9.408 -1.796 1.472 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.009 -2.402 -0.590 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.219 -0.635 -0.184 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7