REMARK Name = BDB023490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.837 -0.560 0.276 0.00 0.00 +0.192 C ATOM 2 N LIG 1 1.471 -1.799 -0.410 0.00 0.00 -0.256 N ATOM 3 C LIG 1 0.250 -1.691 -1.054 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -0.398 -2.559 -1.606 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -0.199 -0.303 -0.916 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -1.348 0.285 -1.413 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -1.595 1.638 -1.114 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -0.656 2.331 -0.306 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.500 1.710 0.188 0.00 0.00 +0.009 A ATOM 10 C LIG 1 0.716 0.378 -0.123 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.184 0.011 -0.201 0.00 0.00 +0.007 A ATOM 12 C LIG 1 4.084 0.604 0.706 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.305 1.128 0.272 0.00 0.00 +0.020 A ATOM 14 C LIG 1 5.640 1.077 -1.078 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 7.148 1.712 -1.609 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 4.762 0.517 -1.999 0.00 0.00 +0.020 A ATOM 17 C LIG 1 3.540 -0.006 -1.565 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 0.673 -1.038 2.365 0.00 0.00 +0.197 C ATOM 19 O LIG 1 1.903 -0.814 1.687 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 -2.881 2.325 -1.584 0.00 0.00 +0.101 C ATOM 21 C LIG 1 -2.584 3.684 -2.248 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 -3.530 1.556 -2.612 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 -2.877 1.417 -3.319 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 -3.891 2.545 -0.402 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 -4.120 1.403 0.520 0.00 0.00 -0.292 NA ATOM 26 C LIG 1 -4.841 1.869 1.723 0.00 0.00 +0.141 C ATOM 27 C LIG 1 -5.172 0.739 2.614 0.00 0.00 +0.073 A ATOM 28 N LIG 1 -5.234 -0.538 2.143 0.00 0.00 -0.246 N ATOM 29 N LIG 1 -5.563 -1.413 3.102 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -5.733 -0.717 4.221 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 -4.924 -0.939 0.793 0.00 0.00 +0.161 C ATOM 32 C LIG 1 -5.497 0.604 3.942 0.00 0.00 +0.160 A ATOM 33 C LIG 1 -4.855 0.292 -0.124 0.00 0.00 +0.108 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 34 ATOM 34 C LIG 1 2.059 -3.100 -0.114 0.00 0.00 +0.166 C BRANCH 34 35 ATOM 35 C LIG 1 3.566 -3.166 -0.216 0.00 0.00 +0.059 A ATOM 36 N LIG 1 4.101 -3.323 -1.455 0.00 0.00 -0.257 NA ATOM 37 C LIG 1 5.453 -3.327 -1.553 0.00 0.00 +0.131 A ATOM 38 C LIG 1 6.305 -3.186 -0.471 0.00 0.00 +0.059 A ATOM 39 CL LIG 1 8.008 -3.187 -0.681 0.00 0.00 -0.082 Cl ATOM 40 C LIG 1 5.747 -3.041 0.792 0.00 0.00 +0.023 A ATOM 41 C LIG 1 4.359 -3.032 0.925 0.00 0.00 +0.026 A ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8