REMARK Name = BDB005696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.659 0.296 -0.609 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.750 -0.427 -0.151 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.577 0.550 0.406 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.780 0.205 1.018 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -4.073 -1.142 1.022 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -3.295 -2.112 0.474 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -2.052 1.799 0.242 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.127 -1.776 -0.137 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -0.898 1.633 -0.357 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.317 -1.621 1.648 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.593 -2.932 1.633 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -5.032 -3.663 1.227 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.766 -3.088 2.257 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.349 -4.144 2.440 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -7.210 -1.851 2.661 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -6.218 -0.907 2.235 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.400 -2.880 -0.737 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.399 -3.100 -2.121 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.701 -4.182 -2.650 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -0.666 -4.451 -4.343 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.030 -5.027 -1.780 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.021 -4.863 -0.436 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.717 -3.807 0.050 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 -0.042 2.597 -0.778 0.00 0.00 -0.298 N ATOM 25 C LIG 1 0.625 3.465 0.217 0.00 0.00 +0.079 C ATOM 26 C LIG 1 1.098 4.652 -0.630 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -0.048 4.850 -1.605 0.00 0.00 +0.021 C ATOM 28 C LIG 1 -0.523 3.430 -1.897 0.00 0.00 +0.108 C BRANCH 25 29 ATOM 29 C LIG 1 -0.268 3.921 1.344 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -0.286 3.171 2.656 0.00 0.00 +0.006 C ATOM 31 C LIG 1 0.326 4.541 2.587 0.00 0.00 +0.006 C ENDBRANCH 25 29 ENDBRANCH 9 24 BRANCH 1 32 ATOM 32 C LIG 1 0.520 -0.226 -1.282 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 5.562 -1.861 0.315 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.574 -0.779 -0.122 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.610 -0.444 1.029 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.301 0.131 0.501 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.533 -0.906 -0.340 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.486 -1.833 -1.124 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.834 -1.179 -1.412 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6