REMARK Name = BDB005424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.323 0.208 1.125 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.290 0.956 0.551 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.841 0.236 0.779 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.290 0.314 0.521 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.716 -0.977 1.134 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.641 -1.684 1.745 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.679 -2.678 2.453 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.477 -0.883 1.455 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.856 -0.914 1.673 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.029 -1.427 1.147 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.306 -2.916 0.976 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.433 -3.680 0.569 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.624 -3.324 1.208 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -5.936 -4.741 1.111 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.662 -2.417 1.334 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.435 -1.100 1.314 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -7.727 0.030 1.439 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -5.086 -0.598 1.233 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.641 0.416 -0.953 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -3.307 1.556 -1.436 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.629 1.670 -2.791 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.292 0.647 -3.674 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.688 0.794 -5.342 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.636 -0.491 -3.215 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.312 -0.607 -1.861 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.286 1.408 2.112 0.00 0.00 +0.131 A ATOM 27 C LIG 1 2.743 0.556 1.137 0.00 0.00 +0.060 A ATOM 28 C LIG 1 3.606 -0.056 0.219 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.976 0.240 0.233 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.498 1.118 1.190 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.650 1.712 2.124 0.00 0.00 +0.047 A BRANCH 29 32 ATOM 32 C LIG 1 5.913 -0.438 -0.695 0.00 0.00 +0.246 C ATOM 33 N LIG 1 5.614 -0.484 -2.055 0.00 0.00 -0.304 N ATOM 34 C LIG 1 4.717 0.438 -2.735 0.00 0.00 +0.132 C ATOM 35 C LIG 1 6.439 -1.320 -2.909 0.00 0.00 +0.132 C ATOM 36 O LIG 1 6.920 -0.948 -0.208 0.00 0.00 -0.270 OA ENDBRANCH 29 32 BRANCH 26 38 ATOM 37 C LIG 1 2.449 1.217 4.239 0.00 0.00 +0.277 C ATOM 38 O LIG 1 2.481 2.009 3.048 0.00 0.00 -0.494 OA ENDBRANCH 26 38 ENDBRANCH 1 27 BRANCH 2 39 ATOM 39 C LIG 1 0.350 2.199 -0.208 0.00 0.00 +0.083 C ATOM 40 C LIG 1 1.038 2.024 -1.560 0.00 0.00 +0.030 C ATOM 41 C LIG 1 0.911 3.388 0.567 0.00 0.00 +0.030 C ENDBRANCH 2 39 TORSDOF 6