REMARK Name = BDB004486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.390 -0.405 3.987 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.568 -0.032 3.171 0.00 0.00 +0.250 C ATOM 3 N LIG 1 0.770 0.390 1.874 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -0.483 0.698 1.166 0.00 0.00 +0.192 C ATOM 5 C LIG 1 -1.492 0.575 2.303 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -2.845 0.892 2.356 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -3.541 0.674 3.551 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.887 0.164 4.685 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.523 -0.124 4.643 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -0.861 0.095 3.448 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.423 2.108 0.553 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.354 2.305 -0.839 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -0.276 3.589 -1.386 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.255 4.700 -0.549 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -0.156 6.279 -1.223 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -0.305 4.537 0.832 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -0.382 3.252 1.378 0.00 0.00 +0.010 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 2.092 0.463 1.270 0.00 0.00 +0.147 C BRANCH 18 19 ATOM 19 C LIG 1 2.436 -0.693 0.353 0.00 0.00 -0.022 A ATOM 20 C LIG 1 2.789 -0.528 -1.020 0.00 0.00 -0.013 A ATOM 21 C LIG 1 3.106 -1.685 -1.782 0.00 0.00 -0.018 A ATOM 22 C LIG 1 3.444 -1.570 -3.140 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.484 -0.328 -3.770 0.00 0.00 +0.001 A ATOM 24 C LIG 1 3.189 0.816 -3.045 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.086 -2.952 -1.183 0.00 0.00 +0.008 A ATOM 26 C LIG 1 2.762 -3.103 0.160 0.00 0.00 +0.001 A ATOM 27 C LIG 1 2.849 0.718 -1.692 0.00 0.00 +0.009 A ATOM 28 C LIG 1 2.442 -1.984 0.919 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 29 ATOM 29 O LIG 1 -0.627 -0.333 0.184 0.00 0.00 -0.347 OA BRANCH 29 30 ATOM 30 C LIG 1 -1.946 -0.609 -0.282 0.00 0.00 +0.172 C BRANCH 30 31 ATOM 31 C LIG 1 -1.927 -1.521 -1.500 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -0.949 -2.680 -1.530 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -0.740 -1.504 -2.444 0.00 0.00 +0.012 C BRANCH 31 34 ATOM 34 C LIG 1 -3.292 -1.734 -2.107 0.00 0.00 +0.165 C BRANCH 34 35 ATOM 35 O LIG 1 -4.124 -2.406 -1.173 0.00 0.00 -0.394 OA ATOM 36 H LIG 1 -3.688 -3.253 -0.972 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 8