REMARK Name = BDB005699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.270 0.635 0.537 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.067 0.343 -0.079 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.531 1.546 -0.425 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.283 2.499 0.190 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.046 3.851 0.151 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.201 4.157 -0.538 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.989 3.255 -1.179 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.660 1.935 -1.159 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.380 1.921 0.763 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.652 5.555 -0.631 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -2.752 5.840 -1.340 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -3.332 5.189 -1.841 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.934 7.164 -1.255 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.838 7.800 -1.772 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.928 7.692 -0.481 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.100 6.589 -0.089 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.516 1.066 -1.949 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.870 0.890 -1.634 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.664 0.059 -2.418 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -6.316 -0.192 -2.026 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.088 -0.566 -3.512 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -2.791 -0.409 -3.867 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -2.046 0.414 -3.089 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.611 0.039 0.491 0.00 0.00 +0.082 C ATOM 25 N LIG 1 2.191 -0.330 0.826 0.00 0.00 -0.297 N ATOM 26 C LIG 1 2.144 -0.777 2.233 0.00 0.00 +0.108 C ATOM 27 C LIG 1 3.551 -1.236 2.550 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.394 -0.234 1.792 0.00 0.00 +0.024 C BRANCH 24 29 ATOM 29 C LIG 1 4.118 -0.705 -0.803 0.00 0.00 -0.017 C ATOM 30 C LIG 1 4.435 -2.192 -0.552 0.00 0.00 +0.013 C ATOM 31 C LIG 1 3.038 -0.656 -1.917 0.00 0.00 +0.013 C BRANCH 29 33 ATOM 32 C LIG 1 6.614 0.139 -0.566 0.00 0.00 +0.004 C ATOM 33 C LIG 1 5.363 0.012 -1.422 0.00 0.00 +0.005 C ENDBRANCH 29 33 ENDBRANCH 24 29 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.441 -0.997 -0.326 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.723 -1.343 0.456 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.458 -1.548 1.954 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.738 -1.917 2.705 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.407 -3.160 2.105 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -4.711 -3.477 2.835 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.658 -2.974 0.604 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.378 -2.599 -0.140 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7