REMARK Name = BDB005796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.074 0.134 0.811 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -2.090 -0.688 0.339 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -3.120 0.202 0.045 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -4.322 -0.249 -0.494 0.00 0.00 +0.065 A ATOM 5 CA LIG 1 -4.408 -1.611 -0.709 0.00 0.00 +0.150 A ATOM 6 N LIG 1 -3.418 -2.495 -0.419 0.00 0.00 -0.238 NA ATOM 7 N LIG 1 -2.773 1.482 0.361 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.248 -2.061 0.115 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.542 1.439 0.815 0.00 0.00 +0.202 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.278 -3.096 0.419 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -1.115 -3.596 1.718 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -0.173 -4.591 1.963 0.00 0.00 +0.060 A ATOM 13 CL LIG 1 0.059 -5.198 3.551 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 0.579 -5.067 0.901 0.00 0.00 +0.130 A ATOM 15 N LIG 1 0.444 -4.625 -0.371 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 -0.495 -3.670 -0.582 0.00 0.00 +0.120 A ENDBRANCH 8 10 BRANCH 5 17 ATOM 17 C LIG 1 -5.671 -2.154 -1.292 0.00 0.00 +0.355 C ATOM 18 O LIG 1 -6.655 -1.502 -1.595 0.00 0.00 -0.243 OA BRANCH 17 19 ATOM 19 OXT LIG 1 -5.644 -3.490 -1.472 0.00 0.00 -0.476 OA ATOM 20 HXT LIG 1 -6.519 -3.705 -1.855 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 9 21 ATOM 21 N LIG 1 -0.809 2.479 1.280 0.00 0.00 -0.270 N ATOM 22 H LIG 1 0.097 2.329 1.698 0.00 0.00 +0.156 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.804 3.742 0.640 0.00 0.00 +0.125 A ATOM 24 N LIG 1 -1.108 3.859 -0.670 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -1.072 5.089 -1.226 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -0.717 6.236 -0.539 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -0.385 6.112 0.802 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -0.428 4.853 1.398 0.00 0.00 +0.044 A ENDBRANCH 21 23 ENDBRANCH 9 21 BRANCH 1 29 ATOM 29 C LIG 1 0.266 -0.291 1.183 0.00 0.00 +0.128 C BRANCH 29 34 ATOM 30 C LIG 1 5.207 -0.212 -1.312 0.00 0.00 +0.007 C ATOM 31 C LIG 1 4.083 0.450 -0.514 0.00 0.00 -0.014 C ATOM 32 C LIG 1 3.666 -0.409 0.694 0.00 0.00 +0.003 C ATOM 33 C LIG 1 2.462 -1.293 0.382 0.00 0.00 +0.005 C ATOM 34 C LIG 1 1.217 -0.472 -0.018 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.597 0.881 -0.653 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.898 0.779 -1.439 0.00 0.00 +0.003 C ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 7