REMARK Name = BDB011918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.126 -0.557 1.473 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.519 -0.948 0.201 0.00 0.00 -0.284 N ATOM 3 C LIG 1 1.945 -1.280 -0.018 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.101 -2.673 -0.638 0.00 0.00 -0.015 A ATOM 5 C LIG 1 1.014 -3.350 -1.227 0.00 0.00 -0.040 A ATOM 6 C LIG 1 1.201 -4.629 -1.774 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.457 -5.232 -1.753 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.535 -4.570 -1.176 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.368 -2.752 -1.211 0.00 0.00 +0.054 C ATOM 10 C LIG 1 3.359 -3.303 -0.620 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -0.347 -1.250 -0.936 0.00 0.00 +0.113 C ATOM 12 O LIG 1 0.931 -0.572 2.413 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 2.695 -0.170 -0.826 0.00 0.00 +0.242 C ATOM 14 N LIG 1 2.272 1.130 -0.570 0.00 0.00 -0.279 N ATOM 15 H LIG 1 1.321 1.266 -0.222 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 3.636 -0.432 -1.576 0.00 0.00 -0.273 OA BRANCH 14 17 ATOM 17 C LIG 1 2.964 2.290 -1.001 0.00 0.00 +0.105 A ATOM 18 C LIG 1 4.359 2.376 -1.074 0.00 0.00 +0.147 A ATOM 19 F LIG 1 5.144 1.374 -0.651 0.00 0.00 -0.203 F ATOM 20 C LIG 1 4.995 3.549 -1.493 0.00 0.00 +0.040 A ATOM 21 C LIG 1 4.242 4.670 -1.834 0.00 0.00 +0.006 A ATOM 22 C LIG 1 2.854 4.614 -1.744 0.00 0.00 +0.040 A ATOM 23 C LIG 1 2.231 3.436 -1.326 0.00 0.00 +0.147 A ATOM 24 F LIG 1 0.890 3.413 -1.301 0.00 0.00 -0.203 F ENDBRANCH 14 17 ENDBRANCH 3 13 BRANCH 1 25 ATOM 25 C LIG 1 -1.355 -0.197 1.792 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -2.182 -1.475 2.026 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -3.564 -1.207 2.632 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -4.001 -2.544 3.224 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -2.728 -3.366 3.409 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -1.577 -2.434 3.056 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 31 C LIG 1 -1.413 1.867 0.453 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -2.008 0.666 0.799 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -3.018 0.695 0.831 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -0.237 2.108 0.715 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -2.312 2.809 -0.386 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -2.275 2.332 -1.838 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -2.533 5.178 -0.993 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -1.852 4.191 -0.177 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -0.841 4.222 -0.348 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 25 32 ENDBRANCH 1 25 TORSDOF 7