REMARK Name = BDB004606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.714 -0.852 -2.098 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.392 -1.295 -1.348 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.658 -0.735 -1.532 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.813 0.289 -2.474 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.723 0.742 -3.221 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.535 0.175 -3.032 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.805 -1.127 -0.810 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.660 -0.644 -1.055 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.903 -2.144 0.122 0.00 0.00 +0.248 C ATOM 10 O LIG 1 2.023 -2.929 0.454 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 4.245 -2.292 0.750 0.00 0.00 +0.041 A ATOM 12 C LIG 1 5.016 -1.171 1.089 0.00 0.00 +0.062 A ATOM 13 C LIG 1 6.242 -1.399 1.679 0.00 0.00 +0.167 A ATOM 14 O LIG 1 7.118 -0.438 2.078 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 8.180 -1.248 2.626 0.00 0.00 +0.466 C ATOM 16 O LIG 1 7.933 -2.665 2.519 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 6.705 -2.669 1.935 0.00 0.00 +0.166 A ATOM 18 C LIG 1 5.964 -3.789 1.625 0.00 0.00 +0.050 A ATOM 19 C LIG 1 4.713 -3.594 1.031 0.00 0.00 +0.017 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.083 -1.447 -1.855 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.704 -0.848 -0.676 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.996 -0.653 0.027 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 -5.340 2.814 1.098 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -4.808 2.120 -0.010 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.035 0.970 0.250 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -3.490 0.306 -0.871 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -3.740 0.709 -2.126 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 -4.490 1.798 -2.268 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.843 0.531 1.585 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.381 1.225 2.660 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -5.023 2.526 -1.281 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -5.123 2.368 2.416 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 -6.499 4.489 -0.280 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -7.026 5.344 -0.379 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -6.162 3.999 -1.105 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 -6.161 4.059 0.969 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -6.531 4.692 1.953 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6