REMARK Name = BDB037351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.291 -2.698 -1.055 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.784 -2.094 -0.380 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.662 -1.015 0.474 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.883 -0.950 1.180 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.740 -1.884 0.741 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.599 -0.249 0.625 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.781 -1.204 0.386 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.148 -2.393 -0.378 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.583 -2.199 -0.791 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.581 -2.596 -1.407 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.451 0.949 -0.310 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.147 2.208 0.247 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.015 3.334 -0.563 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.131 3.215 -1.938 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.028 4.293 -2.717 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.436 1.991 -2.517 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.595 0.862 -1.708 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.982 -2.960 -1.377 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.170 -3.602 -1.000 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.017 -4.134 -1.975 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.694 -4.006 -3.325 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.534 -3.332 -3.705 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.684 -2.798 -2.733 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.079 -0.538 0.226 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.610 -0.817 -0.588 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.651 0.182 1.249 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.063 0.384 2.308 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.023 0.734 1.038 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.481 1.699 1.950 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.759 2.270 1.824 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.586 1.849 0.773 0.00 0.00 +0.012 A ATOM 32 C LIG 1 7.139 0.892 -0.138 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.865 0.333 -0.007 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.248 3.290 2.825 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.240 3.987 3.418 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.068 4.226 2.269 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.961 2.723 3.835 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.581 -3.814 -3.289 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.220 -3.951 -1.812 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.285 -0.027 2.284 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -3.410 0.757 1.827 0.00 0.00 -0.306 N ATOM 42 H LIG 1 -4.030 0.302 1.167 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.800 1.885 2.490 0.00 0.00 +0.237 C ATOM 44 O LIG 1 -3.192 2.380 3.431 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 -5.060 2.457 1.972 0.00 0.00 +0.074 C ATOM 46 C LIG 1 -5.620 3.490 2.618 0.00 0.00 +0.096 C BRANCH 46 47 ATOM 47 C LIG 1 -6.878 4.048 2.102 0.00 0.00 +0.330 C ATOM 48 O LIG 1 -7.445 3.650 1.098 0.00 0.00 -0.246 OA BRANCH 47 49 ATOM 49 O LIG 1 -7.348 5.048 2.875 0.00 0.00 -0.478 OA ATOM 50 H LIG 1 -6.811 5.264 3.661 0.00 0.00 +0.295 HD ENDBRANCH 47 49 ENDBRANCH 46 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11