REMARK Name = BDB020427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.478 -0.600 0.235 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.910 -0.467 0.257 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.011 0.329 -0.277 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -3.192 -0.339 0.354 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.829 -1.496 1.267 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -3.178 -1.218 2.733 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.384 -2.835 0.772 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.423 0.138 -0.022 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -5.508 -0.485 0.508 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -5.402 -1.029 1.343 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.543 1.066 -0.821 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -1.363 -1.446 1.083 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -0.288 -2.124 1.528 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.231 -2.917 2.159 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 0.861 -1.620 1.020 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 1.286 0.202 -0.486 0.00 0.00 -0.324 N ATOM 17 H LIG 1 0.883 0.780 -1.214 0.00 0.00 +0.148 HD BRANCH 16 22 ATOM 18 C LIG 1 6.321 -0.852 -2.461 0.00 0.00 +0.247 C ATOM 19 N LIG 1 5.106 -0.211 -2.217 0.00 0.00 -0.297 N ATOM 20 C LIG 1 4.933 0.865 -1.240 0.00 0.00 +0.110 C ATOM 21 C LIG 1 3.468 1.173 -0.952 0.00 0.00 +0.041 C ATOM 22 C LIG 1 2.701 -0.122 -0.660 0.00 0.00 +0.075 C ATOM 23 C LIG 1 2.886 -1.174 -1.768 0.00 0.00 +0.041 C ATOM 24 C LIG 1 3.894 -0.744 -2.829 0.00 0.00 +0.110 C ATOM 25 O LIG 1 6.437 -1.872 -3.135 0.00 0.00 -0.270 OA BRANCH 18 29 ATOM 26 C LIG 1 9.912 0.696 -0.714 0.00 0.00 +0.034 A ATOM 27 C LIG 1 9.450 -0.589 -0.393 0.00 0.00 +0.024 A ATOM 28 C LIG 1 8.277 -1.089 -0.964 0.00 0.00 +0.015 A ATOM 29 C LIG 1 7.550 -0.297 -1.853 0.00 0.00 +0.037 A ATOM 30 C LIG 1 8.012 0.973 -2.202 0.00 0.00 +0.015 A ATOM 31 C LIG 1 9.185 1.470 -1.624 0.00 0.00 +0.024 A BRANCH 26 33 ATOM 32 C LIG 1 11.754 2.324 -0.267 0.00 0.00 +0.241 C ATOM 33 N LIG 1 11.099 1.127 -0.087 0.00 0.00 -0.282 N ATOM 34 H LIG 1 11.538 0.458 0.531 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 11.465 3.226 -1.043 0.00 0.00 -0.271 OA BRANCH 32 37 ATOM 36 C LIG 1 13.148 1.996 1.799 0.00 0.00 +0.013 C ATOM 37 C LIG 1 12.988 2.470 0.556 0.00 0.00 +0.060 C ENDBRANCH 32 37 ENDBRANCH 26 33 ENDBRANCH 18 29 ENDBRANCH 16 22 ENDBRANCH 1 16 BRANCH 9 38 ATOM 38 C LIG 1 -6.876 -0.067 0.199 0.00 0.00 +0.119 C BRANCH 38 39 ATOM 39 C LIG 1 -7.790 -1.246 0.511 0.00 0.00 -0.026 A ATOM 40 C LIG 1 -7.870 -2.301 -0.417 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -8.658 -3.425 -0.162 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.374 -3.516 1.028 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -9.300 -2.486 1.962 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -8.509 -1.361 1.709 0.00 0.00 +0.005 A ENDBRANCH 38 39 BRANCH 38 45 ATOM 45 C LIG 1 -7.215 1.288 0.908 0.00 0.00 +0.111 C BRANCH 45 46 ATOM 46 N LIG 1 -8.596 1.798 0.754 0.00 0.00 -0.306 NA ATOM 47 C LIG 1 -8.909 2.089 -0.646 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -8.777 3.005 1.565 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 38 45 ENDBRANCH 9 38 TORSDOF 9