REMARK Name = BDB024783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.613 3.755 0.505 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.543 2.415 0.082 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.694 1.839 -0.645 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.585 2.113 -2.151 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.893 0.362 -0.323 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.657 -0.431 -0.680 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.420 0.203 -0.113 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.256 -0.586 0.040 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.067 -1.916 -0.256 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.817 -2.190 0.056 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.188 -1.073 0.560 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.091 -0.033 0.549 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.005 1.305 0.919 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.158 2.086 0.753 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.370 1.578 0.250 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.790 4.356 1.186 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.883 5.740 0.476 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.756 4.375 0.074 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.186 -0.979 1.028 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.133 -0.521 -0.091 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.547 -0.490 0.329 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 4.447 -0.404 -0.844 0.00 0.00 +0.100 C ATOM 23 C LIG 1 4.501 0.990 -1.520 0.00 0.00 +0.100 C ATOM 24 N LIG 1 4.801 2.115 -0.610 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 3.911 2.027 0.569 0.00 0.00 +0.100 C ATOM 26 C LIG 1 3.857 0.633 1.242 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 6.216 2.151 -0.195 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 7.171 2.601 -1.310 0.00 0.00 +0.171 C BRANCH 28 29 ATOM 29 O LIG 1 8.496 2.694 -0.792 0.00 0.00 -0.394 OA ATOM 30 H LIG 1 9.055 3.038 -1.510 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.184 -3.532 -0.102 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.569 -4.443 1.055 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 0.055 -5.745 0.936 0.00 0.00 -0.271 N ATOM 34 N LIG 1 1.366 -5.882 1.214 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 1.597 -7.181 1.007 0.00 0.00 +0.134 A ATOM 36 C LIG 1 0.443 -7.872 0.595 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.542 -6.913 0.558 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 10