REMARK Name = BDB020507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.693 -0.145 1.412 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.203 0.248 0.023 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -1.895 -0.312 -0.257 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.728 0.363 -0.018 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.267 -0.512 -0.404 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -0.286 -1.662 -0.924 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.767 1.734 0.521 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -1.952 2.417 0.016 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.925 3.869 0.038 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -1.589 -1.516 -0.821 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -3.183 1.774 -0.096 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.239 2.391 -0.254 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 1.700 -0.294 -0.350 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.311 0.328 0.747 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.704 0.528 0.775 0.00 0.00 +0.001 A ATOM 16 C LIG 1 4.498 0.092 -0.303 0.00 0.00 -0.015 A ATOM 17 C LIG 1 5.882 0.302 -0.255 0.00 0.00 +0.028 A ATOM 18 C LIG 1 6.423 0.933 0.854 0.00 0.00 +0.111 A ATOM 19 N LIG 1 5.694 1.363 1.905 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 3.883 -0.546 -1.390 0.00 0.00 +0.009 A ATOM 21 C LIG 1 4.360 1.148 1.842 0.00 0.00 +0.119 A ATOM 22 C LIG 1 2.499 -0.741 -1.408 0.00 0.00 +0.011 A ENDBRANCH 5 13 BRANCH 10 23 ATOM 23 C LIG 1 -2.608 -2.586 -1.305 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.181 -3.554 -0.303 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -2.192 -4.034 -1.325 0.00 0.00 +0.012 C ENDBRANCH 10 23 TORSDOF 2