REMARK Name = BDB056035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.212 0.907 -0.613 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.256 2.028 -1.237 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.217 2.604 -1.921 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 1.497 2.381 -0.877 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.864 1.457 0.029 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.813 0.515 0.217 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.181 1.494 0.679 0.00 0.00 +0.002 A ATOM 8 C LIG 1 4.121 2.476 0.333 0.00 0.00 +0.012 A ATOM 9 C LIG 1 5.382 2.523 0.944 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.733 1.590 1.917 0.00 0.00 +0.035 A ATOM 11 C LIG 1 4.800 0.606 2.266 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.539 0.558 1.656 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 6.977 1.560 2.579 0.00 0.00 -0.269 N ATOM 14 H LIG 1 7.092 0.831 3.265 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 8.040 2.440 2.439 0.00 0.00 +0.309 C ATOM 16 N LIG 1 9.095 2.053 3.239 0.00 0.00 -0.254 N ATOM 17 H LIG 1 9.039 1.192 3.756 0.00 0.00 +0.158 HD ATOM 18 O LIG 1 8.047 3.424 1.712 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 10.333 2.674 3.408 0.00 0.00 +0.126 A ATOM 20 N LIG 1 11.155 1.990 4.236 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 12.381 2.512 4.467 0.00 0.00 +0.113 A ATOM 22 C LIG 1 12.834 3.693 3.910 0.00 0.00 +0.020 A ATOM 23 C LIG 1 11.975 4.383 3.065 0.00 0.00 +0.005 A ATOM 24 C LIG 1 10.705 3.868 2.808 0.00 0.00 +0.044 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 25 C LIG 1 -1.975 -0.708 -0.196 0.00 0.00 +0.249 C ATOM 26 N LIG 1 -1.469 0.394 -0.869 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -2.068 0.881 -1.523 0.00 0.00 +0.157 HD ATOM 28 O LIG 1 -1.431 -1.321 0.716 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 -5.952 -1.970 -1.380 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -5.508 -2.033 -0.049 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -4.220 -1.628 0.326 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -3.334 -1.134 -0.630 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -3.737 -1.077 -1.965 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -5.029 -1.487 -2.324 0.00 0.00 +0.024 A BRANCH 29 39 ATOM 35 C LIG 1 -10.561 -3.907 -3.622 0.00 0.00 +0.105 C ATOM 36 N LIG 1 -10.022 -3.179 -2.476 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 -9.397 -1.902 -2.878 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -7.854 -1.914 -2.997 0.00 0.00 +0.120 C ATOM 39 N LIG 1 -7.224 -2.372 -1.747 0.00 0.00 -0.327 N ATOM 40 C LIG 1 -8.047 -3.235 -0.881 0.00 0.00 +0.120 C ATOM 41 C LIG 1 -9.076 -4.027 -1.720 0.00 0.00 +0.103 C ENDBRANCH 29 39 ENDBRANCH 25 32 ENDBRANCH 1 26 TORSDOF 6