REMARK Name = BDB060116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.212 -0.119 -0.033 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.141 0.472 -0.179 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -1.364 1.034 0.655 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -3.570 0.218 -0.194 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.282 -0.239 -0.573 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.234 -1.324 -1.457 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.396 -1.981 -1.881 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.645 -1.555 -1.446 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.736 -0.453 -0.602 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -2.942 1.508 1.666 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -3.705 1.396 0.706 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -4.732 2.441 0.461 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -5.141 2.779 -0.835 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.102 3.774 -1.024 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.647 4.438 0.075 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.227 4.117 1.366 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.266 3.124 1.560 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.930 -0.296 -1.376 0.00 0.00 +0.326 C ATOM 19 O LIG 1 1.121 -1.337 -1.988 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 1.380 0.875 -1.884 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 1.806 0.631 -2.731 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 0.220 -1.390 0.838 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.612 -1.753 1.312 0.00 0.00 -0.045 A ATOM 24 C LIG 1 2.306 -2.814 0.717 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.628 -3.080 1.075 0.00 0.00 +0.030 A ATOM 26 C LIG 1 4.288 -2.270 2.005 0.00 0.00 +0.086 A ATOM 27 C LIG 1 3.570 -1.261 2.655 0.00 0.00 +0.030 A ATOM 28 C LIG 1 2.243 -0.999 2.310 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 N LIG 1 5.652 -2.469 2.298 0.00 0.00 -0.149 NA ATOM 30 N LIG 1 6.536 -1.919 1.582 0.00 0.00 -0.149 NA BRANCH 30 31 ATOM 31 C LIG 1 6.162 -1.159 0.454 0.00 0.00 +0.086 A ATOM 32 C LIG 1 5.878 0.208 0.570 0.00 0.00 +0.031 A ATOM 33 C LIG 1 5.466 0.945 -0.544 0.00 0.00 +0.022 A ATOM 34 C LIG 1 5.364 0.320 -1.785 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 4.818 1.214 -3.151 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 5.693 -1.026 -1.928 0.00 0.00 +0.022 A ATOM 37 C LIG 1 6.103 -1.759 -0.811 0.00 0.00 +0.031 A ENDBRANCH 30 31 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10