REMARK Name = BDB014202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.038 -1.720 1.462 0.00 0.00 +0.132 A ATOM 2 C LIG 1 1.158 -0.750 0.457 0.00 0.00 +0.079 A ATOM 3 C LIG 1 2.130 0.259 0.533 0.00 0.00 +0.020 A ATOM 4 C LIG 1 2.997 0.325 1.629 0.00 0.00 -0.041 A ATOM 5 C LIG 1 2.848 -0.620 2.655 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.885 -1.635 2.569 0.00 0.00 +0.047 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.306 -0.773 -0.750 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -1.040 -0.454 -0.626 0.00 0.00 -0.294 N ATOM 9 C LIG 1 -1.683 0.012 0.607 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -2.932 0.876 0.345 0.00 0.00 +0.124 C ATOM 11 N LIG 1 -3.904 0.184 -0.518 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -3.370 -0.813 -1.468 0.00 0.00 +0.124 C ATOM 13 C LIG 1 -1.893 -0.546 -1.810 0.00 0.00 +0.127 C ATOM 14 O LIG 1 0.846 -1.035 -1.823 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -5.261 0.469 -0.463 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -6.225 -0.417 -0.976 0.00 0.00 +0.056 A ATOM 17 C LIG 1 -7.583 -0.079 -0.888 0.00 0.00 +0.109 A ATOM 18 C LIG 1 -7.907 1.128 -0.292 0.00 0.00 +0.158 A ATOM 19 N LIG 1 -9.268 1.194 -0.343 0.00 0.00 -0.329 N ATOM 20 H LIG 1 -9.826 1.956 0.009 0.00 0.00 +0.168 HD ATOM 21 C LIG 1 -9.712 0.051 -0.951 0.00 0.00 +0.198 A ATOM 22 N LIG 1 -7.077 2.044 0.228 0.00 0.00 -0.234 NA ATOM 23 N LIG 1 -8.718 -0.742 -1.292 0.00 0.00 -0.234 NA ATOM 24 C LIG 1 -5.772 1.655 0.107 0.00 0.00 +0.136 A ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 26 ATOM 25 C LIG 1 0.074 -3.777 2.196 0.00 0.00 +0.277 C ATOM 26 O LIG 1 0.081 -2.683 1.288 0.00 0.00 -0.494 OA ENDBRANCH 1 26 BRANCH 4 27 ATOM 27 C LIG 1 4.036 1.416 1.758 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 4.714 1.801 0.451 0.00 0.00 +0.074 A ATOM 29 C LIG 1 5.725 0.899 -0.159 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.307 1.314 -1.356 0.00 0.00 +0.050 A ATOM 31 C LIG 1 7.268 0.521 -1.995 0.00 0.00 +0.014 A ATOM 32 C LIG 1 7.647 -0.696 -1.432 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.069 -1.117 -0.236 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.902 2.601 -1.944 0.00 0.00 +0.272 A ATOM 35 O LIG 1 6.395 3.012 -2.988 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 4.949 3.308 -1.252 0.00 0.00 -0.242 N ATOM 37 H LIG 1 4.654 4.196 -1.647 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 6.110 -0.324 0.403 0.00 0.00 +0.010 A ATOM 39 N LIG 1 4.363 2.935 -0.084 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 5