REMARK Name = BDB023900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.557 2.121 -2.151 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.274 0.914 -1.599 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.561 0.090 -0.738 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.272 0.506 -0.141 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -0.552 -0.669 0.417 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.743 -0.784 0.991 0.00 0.00 +0.098 A ATOM 7 N LIG 1 0.956 -2.033 1.440 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -0.153 -2.717 1.099 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -0.230 -4.125 1.402 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -1.095 -1.931 0.515 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.452 -2.303 0.050 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.291 -1.014 -0.079 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -4.439 0.689 -1.928 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 1.738 0.260 1.169 0.00 0.00 +0.012 A ATOM 15 C LIG 1 2.298 0.900 0.038 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.223 1.928 0.251 0.00 0.00 +0.047 A ATOM 17 N LIG 1 3.615 2.390 -0.985 0.00 0.00 -0.361 N ATOM 18 H LIG 1 4.286 3.131 -1.132 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 2.987 1.686 -1.976 0.00 0.00 +0.083 A ATOM 20 C LIG 1 3.623 2.336 1.531 0.00 0.00 +0.026 A ATOM 21 C LIG 1 3.073 1.670 2.630 0.00 0.00 +0.003 A ATOM 22 C LIG 1 2.176 0.752 -1.377 0.00 0.00 +0.028 A ATOM 23 C LIG 1 2.146 0.645 2.456 0.00 0.00 +0.011 A ENDBRANCH 6 14 TORSDOF 1