REMARK Name = BDB037525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.474 2.597 0.429 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.363 1.475 0.515 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.500 0.520 -0.480 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.425 -0.436 0.023 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.850 -0.077 1.247 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.214 0.678 -1.787 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.562 1.386 -1.511 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.217 1.074 1.518 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.338 2.680 -0.690 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.973 3.706 -0.950 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.885 -1.694 -0.587 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.256 -1.882 -0.677 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.295 -0.976 -0.284 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.602 -1.725 -0.339 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.287 -3.144 -0.747 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.104 -1.162 0.964 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.822 -3.112 -1.248 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.094 -2.549 -0.979 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.780 -3.084 -2.725 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.775 -3.055 -3.887 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 7 21 ATOM 21 N LIG 1 2.516 0.536 -0.782 0.00 0.00 -0.299 N ATOM 22 H LIG 1 2.241 0.233 0.143 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 3.851 0.505 -1.119 0.00 0.00 +0.245 C ATOM 24 O LIG 1 4.323 1.084 -2.088 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 4.738 -0.271 -0.209 0.00 0.00 +0.037 A ATOM 26 C LIG 1 4.279 -1.391 0.498 0.00 0.00 +0.025 A ATOM 27 C LIG 1 5.148 -2.103 1.344 0.00 0.00 +0.056 A ATOM 28 C LIG 1 6.478 -1.671 1.475 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.939 -0.567 0.758 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.073 0.128 -0.086 0.00 0.00 +0.013 A BRANCH 27 31 ATOM 31 C LIG 1 4.649 -3.294 2.127 0.00 0.00 +0.417 C ATOM 32 F LIG 1 5.627 -4.193 2.424 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.100 -2.927 3.318 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.683 -3.994 1.471 0.00 0.00 -0.166 F ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 7 21 BRANCH 6 35 ATOM 35 C LIG 1 0.417 -0.560 -2.625 0.00 0.00 -0.001 C ATOM 36 C LIG 1 0.743 -0.431 -4.095 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -0.595 -0.964 -3.671 0.00 0.00 +0.004 C ENDBRANCH 6 35 BRANCH 8 38 ATOM 38 C LIG 1 -1.382 1.688 2.858 0.00 0.00 +0.109 C ATOM 39 C LIG 1 -2.394 2.777 3.132 0.00 0.00 +0.029 C ATOM 40 C LIG 1 -2.596 1.419 3.725 0.00 0.00 +0.029 C ENDBRANCH 8 38 BRANCH 1 42 ATOM 41 C LIG 1 -0.649 4.771 0.782 0.00 0.00 +0.025 C ATOM 42 C LIG 1 0.400 3.785 1.276 0.00 0.00 +0.112 C ENDBRANCH 1 42 TORSDOF 8