REMARK Name = BDB046904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.114 -0.916 -1.214 0.00 0.00 -0.220 N ATOM 2 N LIG 1 -3.650 -1.684 -2.249 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 -2.360 -1.882 -1.991 0.00 0.00 +0.138 A ATOM 4 C LIG 1 -1.938 -1.255 -0.808 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -3.082 -0.647 -0.333 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 -9.227 1.694 0.740 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -8.041 1.391 0.771 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -7.412 0.566 -0.277 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -6.044 0.268 -0.160 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -5.502 -0.520 -1.187 0.00 0.00 +0.180 A ATOM 11 N LIG 1 -6.266 -0.969 -2.239 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 -7.571 -0.650 -2.294 0.00 0.00 +0.114 A ATOM 13 N LIG 1 -5.303 0.755 0.939 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -5.899 1.470 1.828 0.00 0.00 +0.200 A ATOM 15 C LIG 1 -8.193 0.115 -1.340 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -7.217 1.799 1.783 0.00 0.00 -0.313 N ATOM 17 H LIG 1 -7.639 2.364 2.506 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -0.572 -1.251 -0.208 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.312 -0.133 -0.790 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 1.631 -0.015 -0.132 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 2.503 -1.159 -0.447 0.00 0.00 +0.085 C ATOM 22 C LIG 1 3.852 -1.046 0.269 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.553 0.274 -0.084 0.00 0.00 +0.023 C ATOM 24 C LIG 1 3.607 1.453 0.183 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.271 1.250 -0.533 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 5.885 0.429 0.638 0.00 0.00 -0.026 A ATOM 27 C LIG 1 7.115 0.523 -0.039 0.00 0.00 +0.044 A ATOM 28 CL LIG 1 7.237 0.471 -1.764 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 8.315 0.664 0.671 0.00 0.00 +0.020 A ATOM 30 C LIG 1 8.311 0.714 2.063 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.107 0.623 2.751 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.909 0.482 2.047 0.00 0.00 +0.005 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 5