REMARK Name = BDB062832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.784 4.665 0.821 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -0.741 3.656 0.818 0.00 0.00 -0.331 N ATOM 3 C LIG 1 0.537 3.834 0.338 0.00 0.00 +0.125 A ATOM 4 C LIG 1 1.236 2.651 0.518 0.00 0.00 +0.003 A ATOM 5 C LIG 1 0.334 1.743 1.142 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.896 2.365 1.298 0.00 0.00 +0.106 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -2.112 1.860 1.917 0.00 0.00 +0.263 C ATOM 8 N LIG 1 -2.489 0.547 1.653 0.00 0.00 -0.293 N ATOM 9 C LIG 1 -1.999 -0.268 0.531 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -3.103 -1.144 -0.094 0.00 0.00 +0.124 C ATOM 11 N LIG 1 -3.776 -2.005 0.911 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -3.688 -1.537 2.311 0.00 0.00 +0.124 C ATOM 13 C LIG 1 -3.625 -0.006 2.398 0.00 0.00 +0.127 C ATOM 14 O LIG 1 -2.791 2.573 2.655 0.00 0.00 -0.268 OA BRANCH 11 15 ATOM 15 C LIG 1 -4.991 -2.525 0.437 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -6.242 -2.187 0.973 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -7.426 -2.725 0.453 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -7.381 -3.617 -0.614 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.153 -3.968 -1.163 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.975 -3.425 -0.642 0.00 0.00 +0.023 A ENDBRANCH 11 15 ENDBRANCH 6 7 BRANCH 3 21 ATOM 21 C LIG 1 1.037 5.045 -0.230 0.00 0.00 +0.118 C ATOM 22 N LIG 1 1.404 6.053 -0.673 0.00 0.00 -0.189 NA ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 2.671 2.371 0.172 0.00 0.00 +0.122 C BRANCH 23 24 ATOM 24 N LIG 1 2.853 2.432 -1.289 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 2.213 1.291 -1.980 0.00 0.00 +0.103 C ATOM 26 C LIG 1 2.788 -0.115 -1.650 0.00 0.00 +0.120 C ATOM 27 N LIG 1 4.205 -0.032 -1.256 0.00 0.00 -0.326 N ATOM 28 C LIG 1 4.954 1.048 -1.918 0.00 0.00 +0.120 C ATOM 29 C LIG 1 4.305 2.427 -1.612 0.00 0.00 +0.103 C BRANCH 27 30 ATOM 30 C LIG 1 4.931 -1.212 -1.063 0.00 0.00 +0.048 A ATOM 31 C LIG 1 5.835 -1.344 0.017 0.00 0.00 +0.062 A ATOM 32 CL LIG 1 6.038 -0.077 1.185 0.00 0.00 -0.082 Cl ATOM 33 C LIG 1 6.577 -2.516 0.208 0.00 0.00 +0.022 A ATOM 34 C LIG 1 6.438 -3.582 -0.675 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.559 -3.476 -1.748 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.816 -2.305 -1.939 0.00 0.00 +0.024 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 6