REMARK Name = BDB020736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.214 -0.881 -0.813 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.793 -1.768 -0.212 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.443 -3.235 -0.195 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.934 -1.217 0.297 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.054 0.204 0.274 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.078 1.056 -0.253 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.486 2.370 -0.087 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -2.757 2.333 0.529 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.072 1.012 0.750 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.072 0.457 -0.835 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.722 3.532 -0.502 0.00 0.00 -0.011 A ATOM 12 C LIG 1 0.558 3.767 0.009 0.00 0.00 +0.052 A ATOM 13 C LIG 1 1.274 4.896 -0.391 0.00 0.00 +0.121 A ATOM 14 N LIG 1 0.748 5.762 -1.287 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -0.494 5.523 -1.767 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -1.266 4.438 -1.404 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 N LIG 1 2.571 5.118 0.125 0.00 0.00 -0.321 N ATOM 18 C LIG 1 3.287 6.173 -0.593 0.00 0.00 +0.130 C ATOM 19 C LIG 1 2.570 5.283 1.578 0.00 0.00 +0.130 C ENDBRANCH 13 17 ENDBRANCH 7 11 BRANCH 1 22 ATOM 20 N LIG 1 2.603 -1.045 -0.801 0.00 0.00 -0.307 N ATOM 21 H LIG 1 2.501 -0.704 0.150 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 1.452 -1.404 -1.463 0.00 0.00 +0.245 C ATOM 23 O LIG 1 1.413 -2.121 -2.455 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 3.869 -1.649 -1.150 0.00 0.00 +0.149 C BRANCH 24 26 ATOM 25 C LIG 1 5.947 -0.226 -1.314 0.00 0.00 +0.132 A ATOM 26 C LIG 1 4.998 -0.846 -0.588 0.00 0.00 +0.075 A ATOM 27 C LIG 1 5.111 -0.773 0.900 0.00 0.00 +0.257 A ATOM 28 O LIG 1 4.290 -1.311 1.639 0.00 0.00 -0.267 OA ATOM 29 N LIG 1 6.170 -0.059 1.407 0.00 0.00 -0.326 N ATOM 30 H LIG 1 6.218 -0.016 2.419 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 7.093 0.615 0.644 0.00 0.00 +0.019 A ATOM 32 C LIG 1 8.151 1.387 1.371 0.00 0.00 +0.063 C ATOM 33 C LIG 1 6.994 0.558 -0.693 0.00 0.00 +0.067 A BRANCH 25 35 ATOM 34 C LIG 1 6.872 -1.134 -3.240 0.00 0.00 +0.277 C ATOM 35 O LIG 1 5.932 -0.209 -2.694 0.00 0.00 -0.495 OA ENDBRANCH 25 35 ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 4 36 ATOM 36 C LIG 1 -3.112 -2.020 0.888 0.00 0.00 +0.101 C ATOM 37 C LIG 1 -2.792 -2.267 2.376 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -3.433 -3.257 0.124 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 -3.968 -2.935 -1.227 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -5.518 -2.901 -1.363 0.00 0.00 +0.100 C ATOM 41 N LIG 1 -6.196 -2.588 -0.096 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 -5.834 -3.579 0.939 0.00 0.00 +0.100 C ATOM 43 C LIG 1 -4.397 -4.149 0.794 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 -7.663 -2.457 -0.268 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 -8.496 -2.034 0.960 0.00 0.00 +0.402 C ATOM 46 F LIG 1 -8.477 -2.980 1.928 0.00 0.00 -0.169 F ATOM 47 F LIG 1 -8.055 -0.877 1.498 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -9.791 -1.849 0.607 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10