REMARK Name = BDB019298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.077 -1.100 0.634 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.028 -1.153 -0.292 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.843 -0.475 0.017 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.694 -0.351 -0.725 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -0.130 0.369 0.007 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -1.514 0.793 -0.363 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -2.496 -0.378 -0.535 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -3.854 0.354 -0.429 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -5.036 -0.549 -0.158 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.943 -0.463 -1.216 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -7.116 -1.187 -1.250 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -7.375 -2.025 -0.165 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -6.479 -2.120 0.914 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -8.825 -2.955 -0.143 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -5.494 0.441 -2.167 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -5.980 0.697 -3.014 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -5.297 -1.374 0.924 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -3.649 1.357 0.658 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -4.278 1.010 -1.797 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -3.689 1.876 -2.426 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -2.208 1.682 0.699 0.00 0.00 +0.071 C ATOM 22 C LIG 1 -1.698 1.399 2.126 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -0.183 1.536 2.200 0.00 0.00 +0.125 C ATOM 24 N LIG 1 0.463 0.725 1.193 0.00 0.00 -0.327 N ATOM 25 C LIG 1 1.729 0.203 1.229 0.00 0.00 +0.069 A ATOM 26 C LIG 1 2.759 0.248 2.176 0.00 0.00 +0.029 A ATOM 27 C LIG 1 3.942 -0.426 1.855 0.00 0.00 +0.015 A ENDROOT BRANCH 1 33 ATOM 28 C LIG 1 10.207 0.447 -0.924 0.00 0.00 +0.105 C ATOM 29 N LIG 1 9.127 0.330 0.053 0.00 0.00 -0.302 NA ATOM 30 C LIG 1 7.860 0.841 -0.508 0.00 0.00 +0.103 C ATOM 31 C LIG 1 6.618 0.365 0.268 0.00 0.00 +0.123 C ATOM 32 N LIG 1 6.521 -1.100 0.301 0.00 0.00 -0.295 N ATOM 33 C LIG 1 5.331 -1.817 0.315 0.00 0.00 +0.247 C ATOM 34 O LIG 1 5.263 -3.020 0.081 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 7.768 -1.829 0.069 0.00 0.00 +0.123 C ATOM 36 C LIG 1 8.998 -1.050 0.568 0.00 0.00 +0.103 C ENDBRANCH 1 33 BRANCH 7 37 ATOM 37 C LIG 1 -2.323 -1.280 -1.747 0.00 0.00 -0.004 A ATOM 38 C LIG 1 -2.659 -2.640 -1.639 0.00 0.00 +0.145 A ATOM 39 F LIG 1 -3.109 -3.110 -0.464 0.00 0.00 -0.204 F ATOM 40 C LIG 1 -2.538 -3.510 -2.724 0.00 0.00 +0.076 A ATOM 41 CL LIG 1 -2.973 -5.169 -2.570 0.00 0.00 -0.081 Cl ATOM 42 C LIG 1 -2.071 -3.037 -3.946 0.00 0.00 +0.023 A ATOM 43 C LIG 1 -1.726 -1.692 -4.076 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -1.851 -0.822 -2.987 0.00 0.00 +0.007 A ENDBRANCH 7 37 BRANCH 18 45 ATOM 45 C LIG 1 -4.537 2.520 0.599 0.00 0.00 +0.089 C BRANCH 45 46 ATOM 46 C LIG 1 -4.551 3.232 1.922 0.00 0.00 +0.003 C ATOM 47 C LIG 1 -5.840 3.788 2.475 0.00 0.00 +0.005 C ATOM 48 C LIG 1 -5.197 2.597 3.129 0.00 0.00 +0.005 C ENDBRANCH 45 46 ENDBRANCH 18 45 TORSDOF 4