REMARK Name = BDB005486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.927 -1.052 -0.002 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.107 -0.087 0.610 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.168 -0.451 0.294 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.568 -0.040 0.537 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.288 -1.183 -0.119 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.395 -2.110 -0.730 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.628 -3.136 -1.347 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.080 -1.602 -0.423 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.200 -1.990 -0.604 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.228 -0.036 -0.531 0.00 0.00 +0.147 A ATOM 11 C LIG 1 3.351 -1.010 0.120 0.00 0.00 +0.066 A ATOM 12 C LIG 1 3.896 -2.000 0.850 0.00 0.00 +0.085 A ATOM 13 C LIG 1 5.361 -2.092 1.057 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.809 -2.988 1.767 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 6.127 -1.120 0.424 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.575 -1.156 0.560 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.559 -0.128 -0.357 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 4.342 1.796 -2.073 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.565 0.897 -1.294 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.708 -1.335 -0.068 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -4.378 -2.265 -0.882 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -5.777 -2.412 -0.847 0.00 0.00 -0.014 A ATOM 23 C LIG 1 -6.462 -3.431 -1.706 0.00 0.00 +0.047 C ATOM 24 C LIG 1 -6.510 -1.631 0.041 0.00 0.00 +0.126 A ATOM 25 F LIG 1 -7.842 -1.764 0.116 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -5.880 -0.706 0.859 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -4.490 -0.559 0.803 0.00 0.00 +0.026 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -1.915 1.304 -0.084 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.378 2.356 0.727 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -2.704 3.597 0.172 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -2.570 3.799 -1.199 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -2.965 5.329 -1.879 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -2.115 2.772 -2.021 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -1.790 1.531 -1.467 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 1.544 0.993 1.490 0.00 0.00 +0.083 C ATOM 36 C LIG 1 0.868 0.943 2.862 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.405 2.374 0.852 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5