REMARK Name = BDB005293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.374 0.699 0.420 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.377 0.141 -0.397 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.199 0.613 0.093 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.263 0.526 -0.151 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.726 1.570 0.824 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -0.669 2.131 1.588 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -0.730 2.947 2.494 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.519 1.492 1.082 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.851 1.553 1.295 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.000 2.194 0.714 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -3.132 3.594 0.724 0.00 0.00 +0.163 A ATOM 12 F LIG 1 -2.037 4.372 0.719 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.387 4.198 0.627 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 -4.538 5.915 0.609 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 -5.535 3.417 0.517 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.422 2.029 0.495 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.164 1.424 0.589 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.841 -0.856 0.132 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.639 -1.545 -0.816 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.968 -0.968 -2.167 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.140 -2.822 -0.500 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.873 -3.408 0.736 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.501 -4.968 1.096 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.106 -2.737 1.678 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.597 -1.472 1.380 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.365 -0.842 0.465 0.00 0.00 +0.131 A ATOM 27 C LIG 1 3.812 0.438 0.311 0.00 0.00 +0.059 A ATOM 28 C LIG 1 4.678 1.517 0.080 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.054 1.313 -0.047 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.583 0.028 0.060 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.739 -1.052 0.314 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 3.401 -2.102 2.120 0.00 0.00 +0.277 C ATOM 33 O LIG 1 3.577 -1.938 0.710 0.00 0.00 -0.494 OA ENDBRANCH 26 33 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 1.610 -0.651 -1.601 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.045 -2.066 -1.509 0.00 0.00 +0.030 C ATOM 36 C LIG 1 1.126 0.070 -2.860 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5