REMARK Name = BDB007199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.094 0.586 -0.693 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -4.656 -0.480 -1.410 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -3.963 -1.693 -1.468 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.710 -1.823 -0.851 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.949 -3.122 -0.859 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -0.437 -2.933 -0.932 0.00 0.00 +0.225 C ATOM 7 N LIG 1 0.076 -1.770 -0.332 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.810 -0.952 0.535 0.00 0.00 +0.142 C ATOM 9 O LIG 1 0.227 -3.783 -1.530 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.148 -0.743 -0.155 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -2.843 0.468 -0.083 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.899 -1.531 1.961 0.00 0.00 -0.022 A ATOM 13 C LIG 1 0.272 -1.624 2.740 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.243 -2.132 4.042 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.963 -2.549 4.594 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.003 -3.169 6.197 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.137 -2.459 3.855 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.106 -1.951 2.551 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 1.468 -1.418 -0.439 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.882 -0.082 -0.434 0.00 0.00 +0.025 A ATOM 21 C LIG 1 3.242 0.260 -0.512 0.00 0.00 +0.025 A ATOM 22 C LIG 1 4.251 -0.709 -0.611 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.828 -2.042 -0.606 0.00 0.00 +0.025 A ATOM 24 C LIG 1 2.468 -2.389 -0.532 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 5.596 -0.324 -0.664 0.00 0.00 -0.329 N ATOM 26 C LIG 1 6.620 -1.345 -0.434 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.941 0.670 -1.699 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 6.902 1.712 -1.171 0.00 0.00 -0.027 A ATOM 29 C LIG 1 6.777 2.237 0.120 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.665 3.216 0.534 0.00 0.00 +0.111 A ATOM 31 N LIG 1 8.650 3.715 -0.244 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 8.748 3.209 -1.491 0.00 0.00 +0.111 A ATOM 33 C LIG 1 7.909 2.226 -1.995 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 34 ATOM 34 O LIG 1 -5.877 -0.247 -1.986 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -6.364 -1.222 -2.897 0.00 0.00 +0.277 C ENDBRANCH 2 34 BRANCH 1 36 ATOM 36 O LIG 1 -4.739 1.796 -0.643 0.00 0.00 -0.485 OA BRANCH 36 37 ATOM 37 C LIG 1 -5.386 2.013 0.622 0.00 0.00 +0.170 C ATOM 38 C LIG 1 -6.896 1.900 0.426 0.00 0.00 +0.052 C BRANCH 37 40 ATOM 39 C LIG 1 -5.306 4.554 0.221 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -4.970 3.394 1.150 0.00 0.00 +0.041 C ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 9