REMARK Name = BDB052316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.365 -5.740 0.431 0.00 0.00 -0.271 N ATOM 2 N LIG 1 2.776 -4.530 0.838 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 2.179 -3.668 -0.005 0.00 0.00 +0.100 A ATOM 4 C LIG 1 1.352 -4.370 -0.946 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.523 -5.704 -0.638 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.471 -3.916 -2.005 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.461 -2.884 -1.774 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.212 -2.459 -2.864 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -1.993 -1.411 -2.461 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -2.578 -0.885 -3.091 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -1.775 -1.124 -1.132 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -1.187 -2.943 -4.118 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.298 -3.949 -4.278 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -0.879 -2.079 -0.675 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.535 -4.458 -3.294 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -2.354 0.034 -0.450 0.00 0.00 -0.002 A ATOM 17 C LIG 1 -1.602 0.717 0.515 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -2.110 1.853 1.147 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.380 2.341 0.821 0.00 0.00 -0.033 A ATOM 20 C LIG 1 -4.145 1.648 -0.126 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -3.634 0.506 -0.759 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 C LIG 1 -3.920 3.586 1.496 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.032 4.759 1.357 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 -3.502 5.841 2.227 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -2.991 5.226 -0.033 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 26 ATOM 26 C LIG 1 2.385 -2.226 0.142 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.536 -1.395 -0.973 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.588 -0.003 -0.824 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.506 0.577 0.442 0.00 0.00 +0.035 A ATOM 30 C LIG 1 2.410 -0.255 1.564 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.360 -1.645 1.416 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 2.441 1.966 0.657 0.00 0.00 -0.269 N ATOM 33 H LIG 1 2.390 2.271 1.616 0.00 0.00 +0.156 HD ATOM 34 C LIG 1 2.695 2.969 -0.252 0.00 0.00 +0.306 C ATOM 35 N LIG 1 2.288 4.237 0.181 0.00 0.00 -0.291 N ATOM 36 C LIG 1 2.631 5.353 -0.682 0.00 0.00 +0.133 C ATOM 37 C LIG 1 1.107 4.440 1.016 0.00 0.00 +0.133 C ATOM 38 O LIG 1 3.255 2.806 -1.333 0.00 0.00 -0.252 OA ENDBRANCH 29 32 ENDBRANCH 3 26 BRANCH 1 40 ATOM 39 C LIG 1 1.929 -7.228 2.343 0.00 0.00 +0.029 C ATOM 40 C LIG 1 2.808 -6.926 1.141 0.00 0.00 +0.140 C ENDBRANCH 1 40 TORSDOF 7