REMARK Name = BDB007260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.457 2.397 0.454 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.575 2.276 -0.628 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -4.686 1.203 -0.720 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.692 0.202 0.260 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.771 -1.010 0.192 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -3.251 -1.324 1.543 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -4.138 -1.325 2.635 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -5.533 -0.760 2.390 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -3.893 -1.807 3.744 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.570 0.315 1.343 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.460 1.399 1.430 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -4.417 -2.209 -0.525 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -4.624 -3.452 0.102 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -5.202 -4.523 -0.589 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.573 -4.371 -1.920 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.280 -5.689 -2.768 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -5.369 -3.158 -2.569 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.791 -2.088 -1.878 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.870 -1.719 1.684 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -1.120 -2.195 0.604 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.238 -2.537 0.741 0.00 0.00 +0.025 A ATOM 22 C LIG 1 0.923 -2.419 1.956 0.00 0.00 +0.030 A ATOM 23 C LIG 1 0.155 -1.958 3.034 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -1.202 -1.613 2.905 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 2.270 -2.724 2.094 0.00 0.00 -0.333 N ATOM 26 C LIG 1 2.777 -3.114 3.409 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 3.213 -2.752 0.968 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 3.793 -1.372 0.588 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.559 -0.692 1.736 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.733 0.820 1.537 0.00 0.00 +0.019 C ATOM 31 C LIG 1 4.800 1.239 0.053 0.00 0.00 +0.057 C ATOM 32 C LIG 1 3.423 0.878 -0.569 0.00 0.00 +0.019 C ATOM 33 C LIG 1 2.776 -0.405 -0.021 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 5.950 0.648 -0.693 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 7.240 0.817 0.033 0.00 0.00 +0.103 C ATOM 36 C LIG 1 8.451 0.268 -0.753 0.00 0.00 +0.123 C ATOM 37 N LIG 1 8.523 0.894 -2.070 0.00 0.00 -0.299 N ATOM 38 C LIG 1 9.350 1.962 -2.383 0.00 0.00 +0.213 C ATOM 39 O LIG 1 9.155 2.694 -3.352 0.00 0.00 -0.276 OA ATOM 40 C LIG 1 10.535 2.198 -1.481 0.00 0.00 +0.109 C ATOM 41 C LIG 1 7.296 0.711 -2.838 0.00 0.00 +0.123 C ATOM 42 C LIG 1 6.085 1.257 -2.052 0.00 0.00 +0.103 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 44 ATOM 43 C LIG 1 -7.979 3.779 1.656 0.00 0.00 +0.277 C ATOM 44 O LIG 1 -7.270 3.499 0.456 0.00 0.00 -0.491 OA ENDBRANCH 1 44 BRANCH 2 45 ATOM 45 O LIG 1 -5.510 3.263 -1.580 0.00 0.00 -0.486 OA BRANCH 45 46 ATOM 46 C LIG 1 -6.224 2.901 -2.774 0.00 0.00 +0.167 C ATOM 47 C LIG 1 -5.269 3.087 -3.949 0.00 0.00 +0.051 C ATOM 48 C LIG 1 -7.434 3.818 -2.919 0.00 0.00 +0.051 C ENDBRANCH 45 46 ENDBRANCH 2 45 TORSDOF 9