REMARK Name = BDB007173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.483 -0.564 0.938 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.526 -1.459 2.017 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.325 -1.899 2.581 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -1.087 -1.451 2.087 0.00 0.00 -0.030 A ATOM 5 C LIG 1 0.186 -1.902 2.735 0.00 0.00 +0.132 C ATOM 6 C LIG 1 1.443 -1.783 1.895 0.00 0.00 +0.225 C ATOM 7 N LIG 1 1.432 -0.913 0.803 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.288 -0.004 0.534 0.00 0.00 +0.142 C ATOM 9 O LIG 1 2.409 -2.481 2.223 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.045 -0.536 1.036 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -2.253 -0.090 0.471 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 0.553 1.434 1.019 0.00 0.00 -0.018 A ATOM 13 C LIG 1 0.446 2.572 0.178 0.00 0.00 -0.027 A ATOM 14 C LIG 1 0.698 3.854 0.720 0.00 0.00 +0.025 A ATOM 15 C LIG 1 1.040 4.021 2.057 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 1.337 5.596 2.680 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 1.141 2.918 2.888 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.901 1.642 2.374 0.00 0.00 +0.007 A BRANCH 13 19 ATOM 19 C LIG 1 0.106 2.530 -1.296 0.00 0.00 +0.113 C BRANCH 19 20 ATOM 20 N LIG 1 1.274 2.837 -2.107 0.00 0.00 -0.326 NA ATOM 21 H LIG 1 2.055 2.237 -1.840 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 1.078 2.654 -3.088 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 8 12 BRANCH 7 23 ATOM 23 C LIG 1 2.623 -0.716 0.013 0.00 0.00 +0.037 A ATOM 24 C LIG 1 2.554 -0.481 -1.362 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.715 -0.266 -2.127 0.00 0.00 +0.025 A ATOM 26 C LIG 1 5.000 -0.278 -1.565 0.00 0.00 +0.029 A ATOM 27 C LIG 1 5.049 -0.506 -0.182 0.00 0.00 +0.025 A ATOM 28 C LIG 1 3.894 -0.731 0.588 0.00 0.00 +0.025 A BRANCH 26 29 ATOM 29 N LIG 1 6.146 -0.035 -2.329 0.00 0.00 -0.336 N ATOM 30 C LIG 1 6.088 -0.271 -3.771 0.00 0.00 +0.129 C ATOM 31 C LIG 1 7.461 -0.213 -1.717 0.00 0.00 +0.129 C ENDBRANCH 26 29 ENDBRANCH 7 23 BRANCH 2 32 ATOM 32 O LIG 1 -4.774 -1.845 2.433 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -4.856 -2.711 3.556 0.00 0.00 +0.277 C ENDBRANCH 2 32 BRANCH 1 34 ATOM 34 O LIG 1 -4.681 -0.122 0.434 0.00 0.00 -0.485 OA BRANCH 34 35 ATOM 35 C LIG 1 -4.776 -0.025 -0.993 0.00 0.00 +0.170 C ATOM 36 C LIG 1 -4.905 1.452 -1.360 0.00 0.00 +0.052 C BRANCH 35 38 ATOM 37 C LIG 1 -5.925 -2.285 -1.192 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -6.031 -0.788 -1.447 0.00 0.00 +0.041 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 9