REMARK Name = BDB011366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.282 -0.483 -0.885 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.358 0.252 -0.126 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.880 -0.015 -0.637 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.294 0.373 -0.378 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.955 -0.294 -1.549 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -2.045 -1.061 -2.319 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -2.228 -1.753 -3.306 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.759 -0.837 -1.719 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.583 -1.166 -1.879 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.342 -0.129 -1.852 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -5.112 0.859 -1.215 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -6.473 1.016 -1.503 0.00 0.00 +0.078 A ATOM 13 CL LIG 1 -7.367 2.245 -0.690 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 -7.087 0.193 -2.436 0.00 0.00 +0.142 A ATOM 15 F LIG 1 -8.389 0.329 -2.726 0.00 0.00 -0.204 F ATOM 16 C LIG 1 -6.352 -0.786 -3.086 0.00 0.00 +0.041 A ATOM 17 C LIG 1 -4.991 -0.943 -2.796 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 3.590 0.522 -0.983 0.00 0.00 +0.228 A ATOM 19 C LIG 1 2.725 -0.504 -0.655 0.00 0.00 +0.078 A ATOM 20 C LIG 1 3.345 -1.596 -0.096 0.00 0.00 +0.129 A ATOM 21 N LIG 1 4.671 -1.672 0.143 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 5.434 -0.619 -0.198 0.00 0.00 +0.220 A ATOM 23 N LIG 1 4.920 0.487 -0.759 0.00 0.00 -0.179 NA BRANCH 22 24 ATOM 24 N LIG 1 6.804 -0.664 0.068 0.00 0.00 -0.306 N ATOM 25 C LIG 1 7.336 -2.005 0.259 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.604 0.249 -0.731 0.00 0.00 +0.132 C ENDBRANCH 22 24 BRANCH 18 28 ATOM 27 C LIG 1 4.011 2.634 -1.921 0.00 0.00 +0.279 C ATOM 28 O LIG 1 3.040 1.661 -1.550 0.00 0.00 -0.479 OA ENDBRANCH 18 28 ENDBRANCH 1 19 BRANCH 4 29 ATOM 29 C LIG 1 -2.828 -0.146 0.951 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -3.344 0.749 1.905 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.847 0.286 3.124 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.843 -1.081 3.413 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.336 -1.983 2.475 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.834 -1.520 1.256 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -4.356 -1.555 4.665 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.768 -1.934 5.682 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 0.706 1.125 0.997 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.514 0.430 2.343 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.022 2.491 0.947 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7