REMARK Name = BDB020440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.838 -1.763 -1.474 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.623 -1.150 -1.129 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.009 -0.319 -0.083 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.407 -0.181 -0.557 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.611 -0.880 -1.830 0.00 0.00 +0.081 C ATOM 6 C LIG 1 -2.838 -1.633 -2.240 0.00 0.00 +0.035 C ATOM 7 C LIG 1 -2.430 -0.383 -2.982 0.00 0.00 +0.035 C ATOM 8 C LIG 1 -2.266 0.492 0.286 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.567 0.584 -0.090 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.832 0.397 -1.040 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -1.871 0.963 1.354 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.239 -1.487 -2.123 0.00 0.00 +0.066 A ATOM 13 N LIG 1 0.422 -2.241 -3.013 0.00 0.00 -0.277 N ATOM 14 H LIG 1 0.102 -2.669 -3.875 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.709 -2.417 -2.640 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.165 -2.355 -0.993 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.989 -1.688 -0.717 0.00 0.00 -0.265 N ATOM 18 H LIG 1 2.915 -1.166 0.142 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.392 -3.147 -1.899 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.349 -1.660 1.819 0.00 0.00 +0.034 A ATOM 21 C LIG 1 7.128 -2.929 1.281 0.00 0.00 +0.024 A ATOM 22 C LIG 1 6.093 -3.141 0.362 0.00 0.00 +0.015 A ATOM 23 C LIG 1 5.260 -2.085 -0.019 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.487 -0.807 0.499 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.526 -0.600 1.414 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 9.247 -2.248 3.331 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.372 -1.363 2.743 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.437 -0.399 3.038 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 9.256 -3.469 3.230 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.781 -0.398 4.071 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.236 -1.609 4.245 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.554 1.357 0.655 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -4.488 2.842 0.327 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -4.621 3.784 1.361 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.576 5.154 1.092 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.401 5.603 -0.214 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.267 4.684 -1.252 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.310 3.314 -0.984 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -5.974 0.751 0.445 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -6.290 0.444 -0.979 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -7.279 1.392 -1.503 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -6.811 -0.919 -1.112 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8