REMARK Name = BDB037563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.705 -1.930 -0.665 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.382 -0.937 0.070 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.809 0.275 0.433 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.842 1.068 0.996 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.991 0.384 0.965 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.627 0.601 0.203 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.413 -0.700 -0.027 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.669 -0.871 0.566 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.657 -1.674 -0.957 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.262 -2.237 -1.877 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.663 1.609 -0.946 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.282 2.855 -0.720 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.364 3.812 -1.731 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.831 3.533 -2.980 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.905 4.451 -3.952 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.221 2.312 -3.237 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.138 1.351 -2.226 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.675 -1.875 0.906 0.00 0.00 +0.114 C ATOM 19 C LIG 1 -3.143 -3.193 1.468 0.00 0.00 +0.055 C ATOM 20 C LIG 1 -4.297 -4.133 1.782 0.00 0.00 +0.162 C ATOM 21 O LIG 1 -5.117 -4.299 0.625 0.00 0.00 -0.380 OA ATOM 22 C LIG 1 -5.770 -3.086 0.253 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -4.747 -2.045 -0.176 0.00 0.00 +0.055 C ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.764 -0.496 -0.556 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.993 -1.011 -1.401 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.752 0.092 0.193 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.571 0.511 1.330 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.095 0.186 -0.439 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.224 0.182 0.393 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.514 0.271 -0.154 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.654 0.392 -1.546 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.530 0.413 -2.374 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.251 0.312 -1.825 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.723 0.272 0.750 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.962 1.495 1.298 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.602 -0.593 1.796 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.873 -0.082 0.110 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -1.724 2.427 1.570 0.00 0.00 +0.269 C ATOM 39 N LIG 1 -2.846 3.264 1.643 0.00 0.00 -0.270 N ATOM 40 O LIG 1 -0.636 2.826 1.990 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.178 2.940 1.116 0.00 0.00 +0.228 C BRANCH 41 42 ATOM 42 C LIG 1 -5.051 2.218 2.063 0.00 0.00 +0.082 C ATOM 43 N LIG 1 -5.774 1.670 2.787 0.00 0.00 -0.195 NA ENDBRANCH 41 42 ENDBRANCH 39 41 BRANCH 39 44 ATOM 44 C LIG 1 -2.707 4.493 2.427 0.00 0.00 +0.228 C BRANCH 44 45 ATOM 45 C LIG 1 -2.988 4.300 3.861 0.00 0.00 +0.082 C ATOM 46 N LIG 1 -3.235 4.170 4.988 0.00 0.00 -0.195 NA ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 4 38 BRANCH 1 48 ATOM 47 C LIG 1 -0.789 -4.357 -1.270 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -1.340 -2.950 -1.498 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 11