REMARK Name = BDB034236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.667 0.313 -0.458 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.202 -0.579 0.498 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.742 -1.580 0.926 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.877 -0.104 0.911 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.551 1.001 0.134 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.340 1.645 0.316 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.455 1.158 1.290 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.809 0.044 2.074 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.034 -0.605 1.883 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.648 1.284 -0.835 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.864 -2.049 -3.135 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.973 -1.462 -2.528 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.653 -1.651 -2.853 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.470 -2.318 -3.590 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.558 -0.967 -2.376 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.450 -1.137 -2.884 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.841 0.086 -1.293 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.097 -0.282 -0.502 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.268 -0.435 -1.460 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.709 1.870 1.387 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.818 1.302 2.106 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -3.135 1.740 1.375 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -4.284 1.968 2.388 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -4.207 1.016 3.575 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -2.925 1.231 4.379 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.787 1.819 3.547 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.529 0.693 0.398 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.569 1.188 -0.549 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -3.809 0.443 -1.683 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -2.584 0.644 -0.753 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.337 -1.024 -2.079 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -5.426 -1.215 -2.965 0.00 0.00 +0.047 A ATOM 33 CL LIG 1 -6.243 0.149 -3.650 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -5.892 -2.485 -3.318 0.00 0.00 +0.058 A ATOM 35 C LIG 1 -5.278 -3.604 -2.785 0.00 0.00 +0.125 A ATOM 36 F LIG 1 -5.720 -4.824 -3.117 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.214 -3.477 -1.907 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.755 -2.204 -1.560 0.00 0.00 +0.008 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5