REMARK Name = BDB011013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.024 0.126 -1.271 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.153 0.858 -1.113 0.00 0.00 +0.267 A ATOM 3 O LIG 1 0.248 2.017 -0.714 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.415 0.121 -1.362 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.346 -1.243 -1.653 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.534 -1.958 -1.872 0.00 0.00 +0.081 A ATOM 7 C LIG 1 3.772 -1.288 -1.797 0.00 0.00 +0.019 A ATOM 8 C LIG 1 3.840 0.081 -1.504 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.116 -1.905 -1.737 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 2.649 0.780 -1.283 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.963 -1.214 -1.568 0.00 0.00 +0.209 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.667 0.717 -0.519 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -3.408 0.091 -0.649 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -2.285 0.782 -1.127 0.00 0.00 +0.142 A ATOM 15 N LIG 1 -2.383 2.080 -1.476 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 -3.576 2.692 -1.368 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -4.718 2.062 -0.913 0.00 0.00 +0.024 A BRANCH 12 20 ATOM 18 C LIG 1 -7.454 -1.575 -0.306 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -7.140 -0.217 -0.976 0.00 0.00 +0.035 C ATOM 20 C LIG 1 -5.969 -0.024 0.056 0.00 0.00 +0.058 C ATOM 21 C LIG 1 -5.984 -1.586 0.182 0.00 0.00 +0.035 C BRANCH 20 22 ATOM 22 C LIG 1 -6.438 0.682 1.403 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.721 0.853 2.556 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.373 0.443 2.837 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.542 1.519 3.413 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.695 1.745 2.829 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.628 1.221 1.561 0.00 0.00 -0.134 NA ENDBRANCH 20 22 BRANCH 18 29 ATOM 28 C LIG 1 -8.123 -3.541 -1.948 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -7.817 -2.650 -1.204 0.00 0.00 -0.102 C ENDBRANCH 18 29 ENDBRANCH 12 20 ENDBRANCH 1 14 BRANCH 6 30 ATOM 30 C LIG 1 2.487 -3.432 -2.184 0.00 0.00 +0.419 C ATOM 31 F LIG 1 1.814 -3.724 -3.331 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.732 -3.971 -2.357 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.916 -4.177 -1.196 0.00 0.00 -0.166 F ENDBRANCH 6 30 BRANCH 8 34 ATOM 34 C LIG 1 5.175 0.793 -1.412 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.488 1.251 -0.051 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.649 0.126 0.889 0.00 0.00 +0.088 C ATOM 37 C LIG 1 6.447 0.518 2.142 0.00 0.00 +0.000 C ATOM 38 C LIG 1 6.474 -0.620 3.160 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.873 0.941 1.759 0.00 0.00 +0.006 C ATOM 40 C LIG 1 7.943 1.555 0.361 0.00 0.00 +0.016 C ATOM 41 C LIG 1 6.617 2.194 -0.038 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 7