REMARK Name = BDB024142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.885 -0.927 -1.571 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.644 -2.399 -1.885 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.074 -2.918 -3.117 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.866 -4.261 -3.438 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.235 -5.105 -2.529 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.821 -4.612 -1.294 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.029 -3.270 -0.970 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.497 -0.443 -1.194 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -0.589 -1.051 -2.005 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.784 -0.248 -0.697 0.00 0.00 +0.239 C ATOM 11 O LIG 1 1.063 0.429 0.291 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 -4.248 0.946 0.241 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -4.160 0.103 -0.872 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.913 -0.340 -1.326 0.00 0.00 +0.063 A ATOM 15 CL LIG 1 -2.877 -1.386 -2.708 0.00 0.00 -0.082 Cl ATOM 16 C LIG 1 -1.723 0.043 -0.682 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -1.815 0.883 0.428 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -3.064 1.328 0.884 0.00 0.00 +0.010 A BRANCH 12 23 ATOM 19 C LIG 1 -8.991 2.404 0.473 0.00 0.00 +0.172 C ATOM 20 N LIG 1 -7.632 2.059 0.812 0.00 0.00 -0.274 N ATOM 21 N LIG 1 -7.215 2.190 2.083 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.938 1.802 2.033 0.00 0.00 +0.142 A ATOM 23 C LIG 1 -5.532 1.414 0.734 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -6.664 1.599 -0.034 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 3.251 -0.642 -1.063 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 3.260 0.350 -0.806 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.616 -1.407 0.138 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 4.951 -0.923 0.735 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 4.947 0.514 1.211 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.074 0.934 2.224 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.072 2.263 2.654 0.00 0.00 +0.019 A ATOM 32 C LIG 1 4.949 3.187 2.081 0.00 0.00 +0.052 A ATOM 33 C LIG 1 5.828 2.776 1.075 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.827 1.446 0.644 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 4.946 4.551 2.521 0.00 0.00 +0.099 C ATOM 36 N LIG 1 4.948 5.657 2.877 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9