REMARK Name = BDB042141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.080 1.153 1.351 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.036 1.190 0.552 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.203 0.832 -0.868 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -2.203 -0.342 -0.939 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.518 0.315 -0.662 0.00 0.00 -0.285 NA ATOM 6 C LIG 1 -3.146 1.718 -0.296 0.00 0.00 +0.077 C ATOM 7 C LIG 1 -2.084 1.972 -1.371 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.268 1.847 0.978 0.00 0.00 +0.127 C ATOM 9 O LIG 1 0.127 1.674 2.462 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.734 -0.035 -0.356 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.921 -1.152 -0.488 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.227 -2.261 -0.882 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.576 -0.750 -0.062 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.638 0.573 0.376 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.499 1.207 0.840 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.295 0.483 0.838 0.00 0.00 +0.037 A ATOM 17 C LIG 1 1.254 -0.864 0.420 0.00 0.00 +0.014 A ATOM 18 C LIG 1 2.410 -1.494 -0.047 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.039 1.078 0.279 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 11.069 0.993 0.368 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.946 0.593 0.077 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.210 -0.155 0.961 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.631 -0.265 1.874 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.843 -0.318 0.934 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.231 -0.587 1.965 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.187 -0.129 -0.444 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.809 1.085 -1.128 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.310 0.873 -1.264 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.305 -0.407 0.367 0.00 0.00 +0.118 C BRANCH 29 30 ATOM 30 C LIG 1 -4.680 -1.831 -0.068 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -4.668 -2.873 0.876 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.016 -4.174 0.509 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.387 -4.453 -0.804 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.415 -3.432 -1.751 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.067 -2.130 -1.385 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.556 0.361 0.804 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -6.487 0.846 -0.130 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.623 1.541 0.288 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.848 1.758 1.645 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.938 1.279 2.586 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.801 0.584 2.170 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 5 29 TORSDOF 5