REMARK Name = BDB046880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.598 -1.661 0.139 0.00 0.00 -0.220 N ATOM 2 N LIG 1 -2.956 -2.860 -0.029 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 -1.666 -2.600 0.164 0.00 0.00 +0.138 A ATOM 4 C LIG 1 -1.418 -1.247 0.445 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -2.672 -0.672 0.424 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 -9.182 0.703 0.038 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -7.963 0.711 0.165 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -7.148 -0.508 0.005 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -5.755 -0.404 0.167 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -5.033 -1.596 0.005 0.00 0.00 +0.180 A ATOM 11 N LIG 1 -5.654 -2.786 -0.294 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 -6.991 -2.821 -0.436 0.00 0.00 +0.114 A ATOM 13 N LIG 1 -5.167 0.844 0.472 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -5.923 1.877 0.603 0.00 0.00 +0.200 A ATOM 15 C LIG 1 -7.783 -1.710 -0.296 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -7.275 1.853 0.464 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -7.826 2.693 0.576 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.104 -0.591 0.706 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.581 -0.132 -0.594 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 1.932 0.413 -0.383 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 2.689 0.427 -1.647 0.00 0.00 +0.085 C ATOM 22 C LIG 1 3.790 1.493 -1.719 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.438 1.792 -0.362 0.00 0.00 +0.021 C ATOM 24 C LIG 1 3.367 2.080 0.712 0.00 0.00 +0.023 C ATOM 25 C LIG 1 1.942 1.720 0.271 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 5.456 0.722 0.017 0.00 0.00 -0.043 A ATOM 27 C LIG 1 5.090 -0.481 0.641 0.00 0.00 +0.024 A ATOM 28 C LIG 1 6.053 -1.442 0.952 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 5.580 -2.908 1.719 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 7.394 -1.226 0.646 0.00 0.00 +0.020 A ATOM 31 C LIG 1 7.773 -0.041 0.019 0.00 0.00 +0.002 A ATOM 32 C LIG 1 6.812 0.923 -0.295 0.00 0.00 +0.004 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 5