REMARK Name = BDB024917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.795 -0.519 -1.425 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.659 -1.079 -0.816 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.668 -2.545 -0.625 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.658 -2.961 0.475 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.303 -3.165 -0.290 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.195 -2.467 -1.049 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.215 -1.024 -0.637 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.031 -0.304 -0.374 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.267 -0.738 -0.417 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.019 0.290 -0.082 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.237 1.407 0.163 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.086 1.032 -0.005 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.301 1.710 0.134 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.474 0.990 -0.135 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.454 -0.353 -0.535 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.823 -1.153 -1.657 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.660 2.742 0.550 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.195 2.840 1.986 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.236 3.949 1.925 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.877 3.764 0.560 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -1.709 3.413 -0.355 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 23 ATOM 22 C LIG 1 6.785 1.334 -2.480 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.651 0.782 -1.812 0.00 0.00 -0.453 OA ENDBRANCH 1 23 BRANCH 10 24 ATOM 24 C LIG 1 -2.516 0.232 0.011 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.060 -1.210 -0.053 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 -4.524 -1.267 0.372 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -5.517 -0.555 -0.321 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -6.851 -0.614 0.089 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -7.203 -1.388 1.192 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 -8.846 -1.459 1.697 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -6.233 -2.106 1.887 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -4.899 -2.047 1.478 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -2.864 -1.865 -1.411 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.720 -3.062 -1.614 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.962 -1.022 -2.461 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.790 -1.609 -3.228 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 7