REMARK Name = BDB014398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.749 -0.510 -0.662 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -3.630 0.285 -0.342 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.648 1.635 -0.691 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.442 2.116 -0.249 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -2.118 3.067 -0.307 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.747 1.087 0.334 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -4.721 2.249 -1.340 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -5.812 1.433 -1.643 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -6.866 1.973 -2.271 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.460 -0.013 0.317 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -5.842 0.082 -1.320 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.513 1.281 0.871 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.086 0.102 1.539 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.101 -0.619 0.626 0.00 0.00 +0.125 C ATOM 15 N LIG 1 2.152 0.304 0.134 0.00 0.00 -0.311 N ATOM 16 C LIG 1 1.928 1.736 0.401 0.00 0.00 +0.125 C ATOM 17 C LIG 1 0.456 2.116 0.119 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.472 -0.128 0.144 0.00 0.00 +0.140 A ATOM 19 N LIG 1 4.451 0.756 0.446 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 5.732 0.304 0.431 0.00 0.00 +0.145 A ATOM 21 C LIG 1 6.075 -1.003 0.122 0.00 0.00 +0.162 A ATOM 22 N LIG 1 5.112 -1.907 -0.204 0.00 0.00 -0.246 NA ATOM 23 C LIG 1 3.835 -1.438 -0.190 0.00 0.00 +0.155 A BRANCH 21 24 ATOM 24 C LIG 1 7.538 -1.382 0.126 0.00 0.00 +0.436 C ATOM 25 F LIG 1 8.225 -0.822 -0.913 0.00 0.00 -0.164 F ATOM 26 F LIG 1 7.775 -2.721 0.051 0.00 0.00 -0.164 F ATOM 27 F LIG 1 8.183 -0.958 1.253 0.00 0.00 -0.164 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -5.948 -2.447 0.140 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -6.664 -1.842 0.517 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -5.912 -3.398 0.485 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -4.763 -1.949 -0.336 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -3.793 -2.677 -0.485 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4