REMARK Name = BDB048822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.224 -0.851 0.842 0.00 0.00 +0.081 C ATOM 2 C LIG 1 -1.999 -1.627 0.829 0.00 0.00 +0.169 C ATOM 3 C LIG 1 -0.952 -0.845 0.198 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -1.573 0.364 -0.149 0.00 0.00 -0.011 A ATOM 5 C LIG 1 -0.852 1.364 -0.783 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.499 1.133 -1.077 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.116 -0.083 -0.732 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.380 -1.083 -0.087 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -2.995 0.357 0.272 0.00 0.00 +0.002 C ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -3.973 1.441 0.146 0.00 0.00 -0.017 A ATOM 11 C LIG 1 -4.436 2.117 1.282 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -5.368 3.150 1.155 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.839 3.513 -0.105 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.380 2.847 -1.240 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.449 1.815 -1.116 0.00 0.00 +0.008 A ENDBRANCH 9 10 BRANCH 2 16 ATOM 16 N LIG 1 -1.839 -2.976 1.282 0.00 0.00 -0.181 N ATOM 17 O LIG 1 -0.605 -3.325 1.910 0.00 0.00 -0.173 OA ATOM 18 C LIG 1 -2.837 -4.011 1.028 0.00 0.00 +0.191 C ENDBRANCH 2 16 BRANCH 1 19 ATOM 19 C LIG 1 -4.486 -1.308 1.446 0.00 0.00 +0.338 C ATOM 20 O LIG 1 -4.548 -1.859 2.534 0.00 0.00 -0.245 OA BRANCH 19 22 ATOM 21 C LIG 1 -6.786 -1.511 1.105 0.00 0.00 +0.280 C ATOM 22 O LIG 1 -5.518 -1.103 0.593 0.00 0.00 -0.465 OA ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 23 ATOM 23 O LIG 1 2.421 -0.412 -0.978 0.00 0.00 -0.491 OA BRANCH 23 24 ATOM 24 C LIG 1 3.261 0.596 -1.545 0.00 0.00 +0.244 C BRANCH 24 25 ATOM 25 C LIG 1 4.690 0.040 -1.700 0.00 0.00 +0.125 C BRANCH 25 26 ATOM 26 N LIG 1 5.395 -0.165 -0.423 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 6.526 -1.101 -0.587 0.00 0.00 +0.112 C ATOM 28 C LIG 1 7.528 -0.982 0.570 0.00 0.00 +0.175 C ATOM 29 O LIG 1 8.162 0.304 0.621 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 7.345 1.353 0.086 0.00 0.00 +0.175 C ATOM 31 C LIG 1 5.836 1.087 0.224 0.00 0.00 +0.112 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 8