REMARK Name = BDB037810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.285 -2.639 0.468 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.052 -1.530 0.846 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.622 -0.220 0.744 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.725 0.598 1.100 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.772 -0.172 1.438 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.747 0.153 0.294 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.693 -1.045 0.494 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.339 -1.448 1.336 0.00 0.00 -0.244 N ATOM 9 C LIG 1 1.056 -2.400 0.098 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.752 -3.264 -0.454 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.754 2.074 1.134 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.936 2.716 0.790 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.116 2.131 0.222 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.887 3.219 -0.477 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.102 4.496 -0.320 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.345 2.051 -1.257 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.001 4.183 0.724 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.747 2.722 1.423 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.343 4.761 2.040 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.633 5.231 3.062 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.598 0.665 -1.137 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.141 -0.130 -2.204 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.033 0.399 -3.492 0.00 0.00 +0.038 A ATOM 24 C LIG 1 0.384 1.722 -3.726 0.00 0.00 +0.123 A ATOM 25 F LIG 1 0.277 2.224 -4.963 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.844 2.528 -2.696 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.952 2.002 -1.408 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -3.224 -2.503 1.808 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -4.259 -2.892 0.758 0.00 0.00 +0.186 C ATOM 30 O LIG 1 -5.554 -2.465 1.208 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -5.377 -1.671 2.387 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -4.081 -2.137 3.011 0.00 0.00 +0.057 C ENDBRANCH 8 28 BRANCH 7 33 ATOM 33 N LIG 1 2.979 -0.917 -0.199 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.270 -1.727 -0.739 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.901 0.034 0.162 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.698 0.856 1.048 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.202 0.010 -0.560 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.329 0.544 0.080 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.579 0.556 -0.560 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.683 0.018 -1.851 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.560 -0.500 -2.499 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.319 -0.500 -1.858 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 8.792 1.106 0.150 0.00 0.00 +0.417 C ATOM 44 F LIG 1 9.351 0.197 0.995 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.786 1.484 -0.702 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.515 2.203 0.907 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.377 -4.950 1.349 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.781 -3.993 0.237 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8