REMARK Name = BDB005382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.762 0.134 -0.102 0.00 0.00 -0.320 N ATOM 2 C LIG 1 0.503 -0.035 0.368 0.00 0.00 +0.077 A ATOM 3 C LIG 1 1.895 0.220 -0.053 0.00 0.00 +0.161 C ATOM 4 N LIG 1 2.603 -0.245 1.183 0.00 0.00 -0.253 N ATOM 5 C LIG 1 1.721 -0.788 2.157 0.00 0.00 +0.272 C ATOM 6 O LIG 1 1.985 -1.293 3.236 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.406 -0.616 1.589 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -0.883 -0.835 1.928 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.592 -0.411 0.882 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 3.944 0.151 1.453 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.336 0.792 2.651 0.00 0.00 -0.029 A ATOM 12 C LIG 1 3.384 1.216 3.741 0.00 0.00 +0.045 C ATOM 13 C LIG 1 5.697 1.105 2.856 0.00 0.00 +0.006 A ATOM 14 C LIG 1 6.653 0.838 1.880 0.00 0.00 +0.020 A ATOM 15 C LIG 1 6.259 0.249 0.689 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 7.429 -0.078 -0.530 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 4.923 -0.090 0.475 0.00 0.00 +0.043 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 2.249 -0.535 -1.321 0.00 0.00 -0.021 A ATOM 19 C LIG 1 2.622 0.178 -2.474 0.00 0.00 +0.007 A ATOM 20 C LIG 1 2.935 -0.495 -3.657 0.00 0.00 +0.020 A ATOM 21 C LIG 1 2.877 -1.886 -3.701 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 3.257 -2.711 -5.161 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 2.510 -2.611 -2.571 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.197 -1.940 -1.386 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 -3.042 -0.490 0.833 0.00 0.00 +0.097 A ATOM 26 C LIG 1 -3.747 -1.448 0.130 0.00 0.00 +0.231 A ATOM 27 N LIG 1 -5.094 -1.507 0.084 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -5.747 -0.598 0.817 0.00 0.00 +0.321 A ATOM 29 N LIG 1 -5.175 0.359 1.563 0.00 0.00 -0.202 NA ATOM 30 C LIG 1 -3.825 0.379 1.563 0.00 0.00 +0.133 A BRANCH 26 31 ATOM 31 O LIG 1 -3.018 -2.377 -0.593 0.00 0.00 -0.479 OA ATOM 32 C LIG 1 -3.813 -3.438 -1.114 0.00 0.00 +0.279 C ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 O LIG 1 -7.120 -0.685 0.743 0.00 0.00 -0.466 OA ATOM 34 C LIG 1 -7.781 0.221 1.616 0.00 0.00 +0.280 C ENDBRANCH 28 33 ENDBRANCH 9 25 BRANCH 1 35 ATOM 35 C LIG 1 -1.096 0.800 -1.359 0.00 0.00 +0.112 C ATOM 36 C LIG 1 -1.460 -0.186 -2.468 0.00 0.00 +0.033 C BRANCH 35 37 ATOM 37 C LIG 1 -2.149 1.917 -1.239 0.00 0.00 +0.184 C BRANCH 37 39 ATOM 38 C LIG 1 -0.905 3.832 -0.553 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -1.854 2.839 -0.189 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8