REMARK Name = BDB056036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.282 0.488 -0.040 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.230 1.530 -0.924 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.998 2.147 -1.177 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.981 1.708 -1.477 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.751 0.754 -0.926 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.987 -0.035 -0.017 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.171 0.618 -1.275 0.00 0.00 +0.002 A ATOM 8 C LIG 1 4.037 -0.174 -0.511 0.00 0.00 +0.012 A ATOM 9 C LIG 1 5.390 -0.295 -0.859 0.00 0.00 +0.024 A ATOM 10 C LIG 1 5.907 0.367 -1.979 0.00 0.00 +0.035 A ATOM 11 C LIG 1 5.051 1.162 -2.738 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.698 1.286 -2.389 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 7.279 0.198 -2.251 0.00 0.00 -0.269 N ATOM 14 H LIG 1 7.781 -0.409 -1.626 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 7.984 0.639 -3.347 0.00 0.00 +0.306 C ATOM 16 N LIG 1 9.345 0.402 -3.273 0.00 0.00 -0.285 N ATOM 17 C LIG 1 10.214 0.779 -4.375 0.00 0.00 +0.109 C ATOM 18 C LIG 1 11.558 0.159 -4.027 0.00 0.00 +0.020 C ATOM 19 C LIG 1 11.565 0.207 -2.505 0.00 0.00 +0.020 C ATOM 20 C LIG 1 10.118 -0.098 -2.146 0.00 0.00 +0.109 C ATOM 21 O LIG 1 7.498 1.193 -4.329 0.00 0.00 -0.252 OA ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 23 ATOM 22 C LIG 1 -2.612 0.788 0.516 0.00 0.00 +0.249 C ATOM 23 N LIG 1 -1.415 0.102 0.647 0.00 0.00 -0.267 N ATOM 24 H LIG 1 -1.331 -0.662 1.305 0.00 0.00 +0.157 HD ATOM 25 O LIG 1 -2.769 1.794 -0.172 0.00 0.00 -0.270 OA BRANCH 22 29 ATOM 26 C LIG 1 -5.983 -0.676 2.814 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -5.002 -1.554 2.319 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -3.906 -1.108 1.568 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.753 0.253 1.307 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -4.710 1.148 1.787 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -5.798 0.686 2.541 0.00 0.00 +0.024 A BRANCH 26 36 ATOM 32 C LIG 1 -11.000 -0.399 2.111 0.00 0.00 +0.105 C ATOM 33 N LIG 1 -9.911 -0.903 2.945 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -9.012 -1.778 2.158 0.00 0.00 +0.103 C ATOM 35 C LIG 1 -7.816 -2.300 2.991 0.00 0.00 +0.120 C ATOM 36 N LIG 1 -7.043 -1.174 3.572 0.00 0.00 -0.327 N ATOM 37 C LIG 1 -7.916 -0.268 4.350 0.00 0.00 +0.120 C ATOM 38 C LIG 1 -9.130 0.216 3.519 0.00 0.00 +0.103 C ENDBRANCH 26 36 ENDBRANCH 22 29 ENDBRANCH 1 23 TORSDOF 5