REMARK Name = BDB057294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.203 2.678 0.093 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.643 2.197 -0.888 0.00 0.00 -0.277 N ATOM 3 C LIG 1 0.320 1.255 -2.006 0.00 0.00 +0.172 C ATOM 4 C LIG 1 1.359 1.754 -2.968 0.00 0.00 +0.025 C ATOM 5 C LIG 1 2.514 2.712 -2.645 0.00 0.00 +0.023 C ATOM 6 C LIG 1 1.819 2.764 -1.283 0.00 0.00 +0.094 C ATOM 7 O LIG 1 0.275 3.322 1.048 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.618 -0.282 -1.809 0.00 0.00 +0.254 C ATOM 9 N LIG 1 1.190 -0.590 -0.634 0.00 0.00 -0.202 NA ATOM 10 O LIG 1 0.413 -1.085 -2.726 0.00 0.00 -0.272 OA BRANCH 9 11 ATOM 11 C LIG 1 2.162 -1.682 -0.724 0.00 0.00 +0.198 C BRANCH 11 12 ATOM 12 C LIG 1 1.594 -3.072 -0.448 0.00 0.00 +0.275 C ATOM 13 O LIG 1 2.251 -4.026 -0.026 0.00 0.00 -0.270 OA ATOM 14 N LIG 1 0.197 -3.401 -0.767 0.00 0.00 -0.087 NA ENDBRANCH 11 12 BRANCH 11 15 ATOM 15 C LIG 1 3.221 -1.360 0.260 0.00 0.00 +0.050 C BRANCH 15 16 ATOM 16 C LIG 1 4.205 -0.979 1.221 0.00 0.00 -0.037 A ATOM 17 C LIG 1 5.165 -1.895 1.650 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.120 -1.512 2.594 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.113 -0.213 3.107 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.150 0.701 2.678 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.195 0.317 1.734 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 9 11 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.722 2.437 0.026 0.00 0.00 +0.195 C BRANCH 22 24 ATOM 23 C LIG 1 -2.721 4.108 -1.351 0.00 0.00 +0.252 C ATOM 24 N LIG 1 -2.369 2.807 -1.242 0.00 0.00 -0.203 NA ATOM 25 O LIG 1 -2.378 5.011 -0.582 0.00 0.00 -0.272 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.633 4.359 -2.624 0.00 0.00 +0.169 C ATOM 27 C LIG 1 -2.853 5.234 -3.728 0.00 0.00 +0.022 C BRANCH 26 29 ATOM 28 C LIG 1 -6.118 4.772 -2.864 0.00 0.00 +0.108 C ATOM 29 N LIG 1 -4.838 5.095 -2.156 0.00 0.00 -0.214 NA ENDBRANCH 26 29 ENDBRANCH 23 26 ENDBRANCH 22 24 BRANCH 22 30 ATOM 30 C LIG 1 -2.073 1.036 0.333 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -2.505 -0.282 0.667 0.00 0.00 -0.037 A ATOM 32 C LIG 1 -3.789 -0.694 0.313 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -4.226 -1.980 0.638 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -3.373 -2.865 1.307 0.00 0.00 +0.068 A ATOM 35 C LIG 1 -2.098 -2.434 1.685 0.00 0.00 +0.028 A ATOM 36 C LIG 1 -1.662 -1.146 1.360 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 N LIG 1 -3.797 -4.168 1.618 0.00 0.00 -0.209 NA ATOM 38 C LIG 1 -3.638 -5.088 0.722 0.00 0.00 +0.289 C ATOM 39 N LIG 1 -3.069 -4.881 -0.608 0.00 0.00 -0.104 NA ATOM 40 N LIG 1 -4.076 -6.441 1.065 0.00 0.00 -0.104 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 12