REMARK Name = BDB031874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.552 -0.737 -2.636 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.109 0.535 -2.226 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.875 0.637 -1.573 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.052 -0.451 -1.324 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.089 0.087 -0.647 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.026 1.411 -0.497 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.477 -1.722 -1.753 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.209 1.709 -1.052 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.510 2.676 -1.045 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.715 -1.842 -2.404 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.146 0.276 1.116 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.736 -0.372 -0.058 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.370 -0.080 -1.257 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.198 -0.573 -2.666 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.880 -0.892 -3.343 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.275 0.150 -3.441 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.937 0.972 -2.546 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.710 1.560 -2.817 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.497 0.019 -4.633 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.841 -2.001 -2.962 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.422 0.847 -1.255 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.854 1.501 -0.121 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.200 1.208 1.080 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.783 0.557 3.453 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.444 -0.089 2.233 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.115 -0.702 -0.248 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -1.067 -1.696 -0.459 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.321 -0.428 0.444 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -3.219 -1.506 0.666 0.00 0.00 +0.142 A ATOM 30 C LIG 1 -4.433 -1.294 1.325 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -4.762 -0.006 1.759 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -3.873 1.046 1.577 0.00 0.00 +0.137 A ATOM 33 F LIG 1 -4.169 2.276 2.022 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -2.666 0.844 0.915 0.00 0.00 +0.066 A BRANCH 31 35 ATOM 35 C LIG 1 -6.028 0.193 2.479 0.00 0.00 +0.250 C ATOM 36 N LIG 1 -7.025 0.964 1.895 0.00 0.00 -0.293 N ATOM 37 C LIG 1 -6.993 1.503 0.530 0.00 0.00 +0.136 C ATOM 38 C LIG 1 -8.095 2.545 0.315 0.00 0.00 +0.179 C ATOM 39 O LIG 1 -9.412 2.034 0.559 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -9.473 1.051 1.604 0.00 0.00 +0.179 C ATOM 41 C LIG 1 -8.305 1.115 2.592 0.00 0.00 +0.136 C ATOM 42 O LIG 1 -6.157 -0.390 3.553 0.00 0.00 -0.270 OA ENDBRANCH 31 35 BRANCH 29 43 ATOM 43 O LIG 1 -2.791 -2.724 0.183 0.00 0.00 -0.493 OA ATOM 44 C LIG 1 -3.602 -3.856 0.477 0.00 0.00 +0.277 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6