REMARK Name = BDB010526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.060 1.422 0.644 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.734 0.361 -0.179 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.526 -0.705 0.192 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.211 -0.236 1.306 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -3.067 -0.970 2.033 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.203 -2.214 1.577 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.605 -2.769 0.496 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.758 -2.008 -0.235 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.919 1.068 1.566 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.717 3.658 -1.423 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -1.473 3.716 0.085 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -0.490 2.650 0.480 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.320 3.068 1.665 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -0.448 4.050 2.559 0.00 0.00 +0.179 C ATOM 15 O LIG 1 -0.756 5.281 1.888 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -0.943 5.114 0.474 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -4.118 -3.112 2.318 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -4.302 -4.367 1.878 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -3.885 -4.799 1.071 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -5.165 -4.953 2.718 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -5.573 -6.100 2.638 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -5.512 -4.045 3.687 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -4.797 -2.840 3.385 0.00 0.00 -0.051 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -1.192 -2.636 -1.414 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -0.221 -3.641 -1.315 0.00 0.00 +0.033 A ATOM 26 C LIG 1 0.302 -4.215 -2.469 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 1.510 -5.429 -2.367 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 -0.169 -3.779 -3.697 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -1.118 -2.823 -3.839 0.00 0.00 -0.261 NA ATOM 30 C LIG 1 -1.616 -2.289 -2.698 0.00 0.00 +0.120 A ENDBRANCH 8 24 BRANCH 2 31 ATOM 31 C LIG 1 0.283 0.411 -1.215 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 1.732 0.459 -0.693 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.717 0.563 -1.862 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.155 0.773 -1.376 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.519 -0.029 -0.113 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.626 0.877 1.118 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.541 -1.182 0.124 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.078 -0.738 0.212 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 5