REMARK Name = BDB056025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.669 0.308 -0.015 0.00 0.00 +0.094 A ATOM 2 N LIG 1 0.305 1.476 -0.573 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -1.013 1.351 -0.792 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -1.530 2.116 -1.219 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -1.523 0.142 -0.406 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -0.457 -0.559 0.102 0.00 0.00 +0.073 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 3.974 -2.312 2.674 0.00 0.00 +0.045 C ATOM 8 C LIG 1 3.716 -1.209 1.682 0.00 0.00 -0.029 A ATOM 9 C LIG 1 4.756 -0.426 1.137 0.00 0.00 +0.038 A ATOM 10 C LIG 1 4.428 0.588 0.233 0.00 0.00 +0.024 A ATOM 11 C LIG 1 3.099 0.823 -0.138 0.00 0.00 +0.012 A ATOM 12 C LIG 1 2.058 0.051 0.383 0.00 0.00 +0.003 A ATOM 13 C LIG 1 2.381 -0.962 1.295 0.00 0.00 +0.015 A BRANCH 9 14 ATOM 14 N LIG 1 6.088 -0.674 1.546 0.00 0.00 -0.269 N ATOM 15 H LIG 1 6.218 -1.410 2.221 0.00 0.00 +0.156 HD ATOM 16 C LIG 1 7.255 -0.130 1.030 0.00 0.00 +0.309 C ATOM 17 N LIG 1 8.346 -0.523 1.778 0.00 0.00 -0.251 N ATOM 18 H LIG 1 8.223 -1.010 2.650 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 7.326 0.594 0.045 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 9.655 -0.182 1.517 0.00 0.00 +0.169 A ATOM 21 N LIG 1 10.614 -0.565 2.367 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 11.800 -0.085 1.847 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 11.555 0.581 0.683 0.00 0.00 +0.144 A ATOM 24 C LIG 1 10.202 0.542 0.436 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 12.746 1.175 -0.017 0.00 0.00 +0.023 C ATOM 26 C LIG 1 13.409 2.226 0.891 0.00 0.00 +0.019 C ATOM 27 C LIG 1 12.326 1.859 -1.331 0.00 0.00 +0.019 C ATOM 28 C LIG 1 13.763 0.068 -0.346 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 9 14 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 N LIG 1 -2.849 -0.224 -0.534 0.00 0.00 -0.267 N ATOM 30 H LIG 1 -3.107 -1.161 -0.254 0.00 0.00 +0.157 HD ATOM 31 C LIG 1 -3.783 0.629 -1.101 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -3.524 1.739 -1.560 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -5.181 0.119 -1.165 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -6.010 0.586 -2.194 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -7.334 0.145 -2.297 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -7.844 -0.757 -1.364 0.00 0.00 +0.121 A ATOM 37 C LIG 1 -7.019 -1.217 -0.333 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -5.696 -0.778 -0.224 0.00 0.00 +0.016 A BRANCH 36 39 ATOM 39 O LIG 1 -9.114 -1.264 -1.347 0.00 0.00 -0.491 OA BRANCH 39 40 ATOM 40 C LIG 1 -10.055 -0.699 -2.261 0.00 0.00 +0.244 C BRANCH 40 41 ATOM 41 C LIG 1 -11.456 -1.300 -2.019 0.00 0.00 +0.125 C BRANCH 41 42 ATOM 42 N LIG 1 -12.192 -0.915 -0.805 0.00 0.00 -0.295 NA ATOM 43 C LIG 1 -11.557 -1.331 0.458 0.00 0.00 +0.112 C ATOM 44 C LIG 1 -10.963 -0.158 1.254 0.00 0.00 +0.175 C ATOM 45 O LIG 1 -11.936 0.842 1.592 0.00 0.00 -0.377 OA ATOM 46 C LIG 1 -13.009 0.931 0.644 0.00 0.00 +0.175 C ATOM 47 C LIG 1 -12.593 0.501 -0.772 0.00 0.00 +0.112 C ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 31 33 ENDBRANCH 5 29 TORSDOF 10