REMARK Name = BDB062432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.050 1.867 0.333 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.358 0.605 -0.378 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.786 0.539 -0.968 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.793 0.664 0.102 0.00 0.00 -0.325 N ATOM 5 C LIG 1 2.402 1.468 1.273 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.268 2.461 0.923 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.080 0.190 -0.052 0.00 0.00 +0.067 A ATOM 8 C LIG 1 4.624 -0.221 -1.264 0.00 0.00 +0.138 A ATOM 9 N LIG 1 5.876 -0.697 -1.453 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 6.641 -0.765 -0.352 0.00 0.00 +0.216 A ATOM 11 N LIG 1 6.256 -0.410 0.894 0.00 0.00 -0.230 NA ATOM 12 C LIG 1 4.987 0.052 0.994 0.00 0.00 +0.138 A BRANCH 10 13 ATOM 13 C LIG 1 8.052 -1.292 -0.497 0.00 0.00 +0.281 C ATOM 14 N LIG 1 8.782 -1.304 0.684 0.00 0.00 -0.312 N ATOM 15 H LIG 1 8.274 -1.062 1.530 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 10.092 -1.891 0.764 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.509 -1.685 -1.565 0.00 0.00 -0.267 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -1.004 1.678 1.341 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 -6.678 -1.004 -0.588 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -5.979 -1.919 0.369 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.455 -3.003 0.696 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.776 -1.498 0.869 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -4.326 -2.132 1.514 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.174 -0.282 0.528 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.820 0.569 -0.375 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -4.222 1.782 -0.720 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -2.990 2.135 -0.163 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.338 1.282 0.742 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -2.943 0.065 1.087 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.108 0.163 -0.936 0.00 0.00 +0.019 A BRANCH 19 32 ATOM 31 C LIG 1 -9.139 -1.289 -0.162 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -7.994 -1.471 -1.148 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5