REMARK Name = BDB023859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.849 5.247 1.315 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -2.063 4.193 0.354 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.839 4.423 -0.602 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.152 3.369 0.487 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.281 2.416 -0.509 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.134 1.886 -1.274 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.926 0.456 -0.897 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.843 -0.418 -1.151 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -1.072 -1.629 -0.625 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.283 -1.537 -0.030 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.839 -0.302 -0.186 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.141 0.224 0.316 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.459 1.530 -0.448 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -3.955 3.487 1.408 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.386 -0.127 -1.882 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.648 -0.065 -1.234 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.805 0.248 -1.987 0.00 0.00 -0.011 A ATOM 18 C LIG 1 4.041 0.311 -1.308 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.109 0.076 0.062 0.00 0.00 +0.075 A ATOM 20 N LIG 1 3.017 -0.220 0.795 0.00 0.00 -0.254 NA ATOM 21 C LIG 1 2.681 0.487 -3.384 0.00 0.00 -0.043 A ATOM 22 C LIG 1 3.876 0.818 -4.243 0.00 0.00 +0.044 C ATOM 23 C LIG 1 1.424 0.412 -4.000 0.00 0.00 +0.004 A ATOM 24 C LIG 1 1.834 -0.289 0.140 0.00 0.00 +0.120 A ATOM 25 C LIG 1 0.288 0.109 -3.258 0.00 0.00 +0.011 A BRANCH 19 26 ATOM 26 C LIG 1 5.370 0.142 0.783 0.00 0.00 +0.038 A ATOM 27 C LIG 1 5.510 -0.078 2.140 0.00 0.00 +0.118 A ATOM 28 N LIG 1 6.832 0.074 2.426 0.00 0.00 -0.274 N ATOM 29 C LIG 1 7.463 -0.060 3.716 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.580 0.383 1.350 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 6.688 0.421 0.355 0.00 0.00 +0.144 A ENDBRANCH 19 26 ENDBRANCH 8 15 BRANCH 10 32 ATOM 32 C LIG 1 -2.800 -2.726 0.636 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -3.929 -3.392 -0.153 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.414 -4.630 0.585 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -4.804 -4.297 1.917 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -3.717 -3.796 2.695 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -3.197 -2.497 2.097 0.00 0.00 +0.055 C ENDBRANCH 10 32 TORSDOF 3