REMARK Name = BDB060627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.083 -0.964 -0.670 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.827 -0.174 0.182 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.136 -0.597 0.125 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.114 -1.653 -0.779 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.302 -2.333 -1.084 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.494 -1.929 -0.465 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.489 -0.857 0.439 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.311 -0.169 0.755 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.846 -1.864 -1.256 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.730 -2.614 -0.778 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.538 -3.248 0.141 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.487 -3.462 1.600 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.607 -3.789 -0.503 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.515 -3.533 -1.857 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.385 -2.832 -2.019 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.977 -2.387 -3.372 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.387 -0.817 -0.896 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 2.183 -1.740 0.028 0.00 0.00 +0.043 C BRANCH 18 23 ATOM 19 C LIG 1 6.436 -0.953 -0.286 0.00 0.00 +0.138 A ATOM 20 C LIG 1 5.776 -1.733 -1.250 0.00 0.00 +0.083 A ATOM 21 CL LIG 1 6.622 -2.400 -2.604 0.00 0.00 -0.080 Cl ATOM 22 C LIG 1 4.406 -1.994 -1.145 0.00 0.00 +0.027 A ATOM 23 C LIG 1 3.666 -1.480 -0.073 0.00 0.00 -0.045 A ATOM 24 C LIG 1 4.321 -0.699 0.886 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.693 -0.440 0.781 0.00 0.00 +0.047 A BRANCH 19 27 ATOM 26 C LIG 1 8.476 -0.007 0.522 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.778 -0.747 -0.470 0.00 0.00 -0.494 OA ENDBRANCH 19 27 ENDBRANCH 18 23 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 28 ATOM 28 C LIG 1 -0.328 0.914 1.004 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 C LIG 1 -0.375 2.256 0.260 0.00 0.00 +0.106 C BRANCH 29 30 ATOM 30 N LIG 1 0.196 3.355 1.057 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -0.285 4.663 0.555 0.00 0.00 +0.112 C ATOM 32 C LIG 1 0.619 5.816 1.016 0.00 0.00 +0.175 C ATOM 33 O LIG 1 1.951 5.720 0.492 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 2.343 4.377 0.189 0.00 0.00 +0.175 C ATOM 35 C LIG 1 1.677 3.335 1.104 0.00 0.00 +0.112 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 8