REMARK Name = BDB063408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.658 0.687 -0.976 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.435 0.560 -1.952 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.833 1.077 -0.436 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.635 0.891 -1.030 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.525 0.899 -0.273 0.00 0.00 +0.221 A ATOM 6 N LIG 1 -0.537 1.097 1.050 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -1.733 1.301 1.623 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -2.913 1.307 0.925 0.00 0.00 +0.064 A BRANCH 3 9 ATOM 9 N LIG 1 -4.026 1.096 -1.214 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.786 0.839 -2.640 0.00 0.00 +0.137 C BRANCH 9 18 ATOM 11 C LIG 1 -10.341 -0.705 0.302 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -8.887 -0.984 0.375 0.00 0.00 +0.044 A ATOM 13 N LIG 1 -8.364 -2.089 1.006 0.00 0.00 -0.270 N ATOM 14 C LIG 1 -9.103 -3.131 1.682 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -7.017 -2.164 0.978 0.00 0.00 -0.171 NA ATOM 16 C LIG 1 -6.623 -1.083 0.288 0.00 0.00 +0.095 A ATOM 17 C LIG 1 -5.328 -0.661 -0.055 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -5.281 0.547 -0.797 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -6.478 1.264 -1.163 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -7.790 0.862 -0.833 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -7.782 -0.322 -0.105 0.00 0.00 +0.023 A ENDBRANCH 9 18 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 2.004 0.589 -0.614 0.00 0.00 +0.034 A ATOM 23 C LIG 1 2.958 0.386 -1.622 0.00 0.00 +0.024 A ATOM 24 C LIG 1 4.323 0.286 -1.326 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.785 0.392 -0.010 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.838 0.592 1.001 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.471 0.690 0.698 0.00 0.00 +0.024 A BRANCH 25 28 ATOM 28 C LIG 1 6.223 0.287 0.260 0.00 0.00 +0.139 A ATOM 29 N LIG 1 6.815 0.604 1.462 0.00 0.00 -0.338 N ATOM 30 H LIG 1 6.335 0.948 2.279 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 8.168 0.400 1.365 0.00 0.00 +0.067 A ATOM 32 C LIG 1 8.359 -0.046 0.062 0.00 0.00 +0.102 A ATOM 33 C LIG 1 9.665 -0.353 -0.370 0.00 0.00 +0.064 A ATOM 34 C LIG 1 10.726 -0.193 0.541 0.00 0.00 +0.015 A ATOM 35 C LIG 1 10.496 0.259 1.843 0.00 0.00 +0.003 A ATOM 36 C LIG 1 9.206 0.567 2.285 0.00 0.00 +0.028 A ATOM 37 N LIG 1 7.147 -0.103 -0.602 0.00 0.00 -0.227 NA BRANCH 33 38 ATOM 38 C LIG 1 9.950 -0.836 -1.741 0.00 0.00 +0.244 C ATOM 39 O LIG 1 11.092 -1.092 -2.107 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 8.890 -0.989 -2.587 0.00 0.00 -0.325 N ATOM 41 H LIG 1 9.053 -1.324 -3.525 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 7.941 -0.784 -2.281 0.00 0.00 +0.145 HD ENDBRANCH 33 38 ENDBRANCH 25 28 ENDBRANCH 1 22 TORSDOF 6