REMARK Name = BDB035995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.445 0.928 -0.197 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.009 0.079 -1.181 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 1.685 -0.202 -1.317 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.788 0.386 -0.456 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.689 0.252 -0.366 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -1.041 1.135 0.744 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.096 1.742 1.285 0.00 0.00 +0.252 C ATOM 8 O LIG 1 0.228 2.529 2.204 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.246 1.255 0.518 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.578 1.555 0.682 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.385 1.313 1.171 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.429 0.610 0.549 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.776 0.767 0.940 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.071 1.642 1.991 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.050 2.347 2.620 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.721 2.183 2.213 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.894 -0.020 0.261 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.765 -0.008 -1.238 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.159 1.032 -2.046 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.765 2.276 -1.648 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.827 0.678 -3.318 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.261 -0.506 -3.309 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.218 -0.935 -2.005 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.984 -1.403 0.924 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.988 -2.449 0.358 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.018 -3.541 0.856 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.887 -2.497 0.748 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.253 -1.166 -2.395 0.00 0.00 +0.038 C ATOM 29 C LIG 1 0.437 -0.681 -3.574 0.00 0.00 +0.010 C ATOM 30 C LIG 1 1.869 -1.077 -3.775 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.945 1.169 -0.093 0.00 0.00 +0.139 C BRANCH 31 35 ATOM 32 C LIG 1 9.417 -0.897 0.408 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.972 -0.879 0.902 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.121 0.118 0.103 0.00 0.00 +0.088 C ATOM 35 N LIG 1 5.702 0.035 0.469 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 5.459 -0.200 1.897 0.00 0.00 +0.085 C ATOM 37 C LIG 1 6.635 0.178 2.794 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.911 -0.566 2.405 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 7