REMARK Name = BDB032460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.995 0.637 -1.531 0.00 0.00 +0.215 A ATOM 2 N LIG 1 1.666 -0.399 -2.074 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.924 -1.433 -2.525 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -0.459 -1.483 -2.450 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -1.137 -0.403 -1.879 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -0.384 0.674 -1.401 0.00 0.00 +0.072 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.683 1.714 -1.013 0.00 0.00 -0.476 OA BRANCH 7 8 ATOM 8 C LIG 1 3.061 1.801 -1.382 0.00 0.00 +0.234 C BRANCH 8 14 ATOM 9 C LIG 1 9.480 1.215 2.240 0.00 0.00 +0.067 C ATOM 10 C LIG 1 8.088 1.045 1.774 0.00 0.00 +0.056 A ATOM 11 N LIG 1 7.626 1.750 0.684 0.00 0.00 -0.238 NA ATOM 12 C LIG 1 6.371 1.386 0.529 0.00 0.00 +0.110 A ATOM 13 C LIG 1 5.428 1.832 -0.534 0.00 0.00 +0.081 C ATOM 14 C LIG 1 3.962 1.543 -0.166 0.00 0.00 +0.035 C ATOM 15 C LIG 1 3.827 0.107 0.376 0.00 0.00 +0.029 C ATOM 16 C LIG 1 4.686 -0.092 1.625 0.00 0.00 +0.123 C ATOM 17 N LIG 1 6.012 0.470 1.482 0.00 0.00 -0.334 N ATOM 18 C LIG 1 7.090 0.241 2.283 0.00 0.00 +0.110 A ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 5 19 ATOM 19 C LIG 1 -2.639 -0.404 -1.748 0.00 0.00 +0.137 C BRANCH 19 20 ATOM 20 N LIG 1 -2.994 -0.634 -0.355 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -2.376 -1.299 0.104 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -4.330 -0.812 0.009 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -5.413 -0.364 -0.756 0.00 0.00 +0.033 A ATOM 24 C LIG 1 -6.765 -0.494 -0.331 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -7.020 -1.080 0.929 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -8.365 -1.218 1.344 0.00 0.00 +0.124 A ATOM 27 N LIG 1 -9.417 -0.803 0.618 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 -9.149 -0.235 -0.577 0.00 0.00 +0.133 A ATOM 29 C LIG 1 -5.925 -1.481 1.721 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.872 -0.064 -1.091 0.00 0.00 +0.067 A ATOM 31 CL LIG 1 -7.718 0.670 -2.649 0.00 0.00 -0.081 Cl ATOM 32 C LIG 1 -4.610 -1.337 1.271 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 -8.704 -1.798 2.569 0.00 0.00 -0.343 N ATOM 34 H LIG 1 -9.721 -1.805 2.612 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 -8.326 -2.734 2.646 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 7