REMARK Name = BDB007726 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.513 -1.303 -0.156 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.905 -1.028 1.138 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.338 -0.393 1.685 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.288 -1.694 -1.022 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.232 -0.798 0.109 0.00 0.00 +0.120 A ATOM 6 N LIG 1 3.564 -0.615 -1.182 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 2.588 -0.655 -2.115 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.259 -0.869 -1.823 0.00 0.00 +0.033 A ATOM 9 C LIG 1 0.915 -1.055 -0.488 0.00 0.00 +0.041 A ATOM 10 C LIG 1 1.914 -1.037 0.487 0.00 0.00 +0.056 A BRANCH 5 11 ATOM 11 N LIG 1 4.214 -0.822 1.105 0.00 0.00 -0.326 N ATOM 12 H LIG 1 3.915 -0.255 1.893 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 9.924 1.266 -1.335 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.002 0.141 -1.739 0.00 0.00 +0.212 C ATOM 15 N LIG 1 7.793 0.051 -1.060 0.00 0.00 -0.302 N ATOM 16 C LIG 1 6.857 -1.017 -1.416 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.218 -1.637 -0.177 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.624 -0.578 0.763 0.00 0.00 +0.075 C ATOM 19 C LIG 1 5.886 0.866 0.326 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.345 1.037 -0.079 0.00 0.00 +0.109 C ATOM 21 O LIG 1 9.334 -0.639 -2.630 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -2.313 -1.059 1.504 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.021 0.244 1.109 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.449 1.329 1.863 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.143 2.021 1.851 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.532 0.169 1.408 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.197 1.482 1.229 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.579 1.449 1.759 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.582 0.726 0.884 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.357 0.570 -0.496 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.317 -0.072 -1.289 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.504 -0.536 -0.722 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.738 -0.365 0.641 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.060 1.032 -1.113 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.784 0.266 1.440 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.248 1.938 -0.174 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8