REMARK Name = BDB063811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.858 1.056 0.658 0.00 0.00 +0.142 A ATOM 2 N LIG 1 0.746 0.310 0.808 0.00 0.00 -0.231 NA ATOM 3 C LIG 1 -0.312 0.590 0.040 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.308 1.626 -0.891 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.463 1.849 -1.671 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -2.601 1.055 -1.510 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -2.635 0.012 -0.580 0.00 0.00 +0.032 A ATOM 8 C LIG 1 0.881 2.369 -0.973 0.00 0.00 +0.130 A ATOM 9 C LIG 1 -1.464 -0.183 0.177 0.00 0.00 +0.051 A ATOM 10 N LIG 1 1.946 2.088 -0.203 0.00 0.00 -0.216 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.758 -0.784 -0.401 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -5.076 -0.391 -0.923 0.00 0.00 +0.124 C ATOM 13 C LIG 1 -6.216 -1.088 -0.156 0.00 0.00 +0.126 C ATOM 14 N LIG 1 -6.085 -2.548 -0.116 0.00 0.00 -0.299 N ATOM 15 C LIG 1 -7.120 -3.422 0.161 0.00 0.00 +0.213 C ATOM 16 O LIG 1 -6.982 -4.645 0.137 0.00 0.00 -0.276 OA ATOM 17 C LIG 1 -8.459 -2.812 0.491 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -4.748 -3.084 -0.382 0.00 0.00 +0.126 C ATOM 19 C LIG 1 -3.622 -2.160 0.119 0.00 0.00 +0.124 C ENDBRANCH 7 11 BRANCH 1 20 ATOM 20 C LIG 1 3.075 0.732 1.530 0.00 0.00 +0.055 C ATOM 21 C LIG 1 2.878 0.710 3.046 0.00 0.00 +0.020 C ATOM 22 C LIG 1 3.625 1.844 2.423 0.00 0.00 +0.020 C BRANCH 20 26 ATOM 23 C LIG 1 5.899 -2.104 -0.214 0.00 0.00 +0.120 A ATOM 24 C LIG 1 6.048 -0.734 -0.424 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.144 0.175 0.134 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.068 -0.257 0.925 0.00 0.00 -0.034 A ATOM 27 C LIG 1 3.930 -1.642 1.116 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.833 -2.557 0.559 0.00 0.00 +0.046 A BRANCH 23 30 ATOM 29 C LIG 1 6.723 -4.290 -0.648 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.850 -2.883 -0.813 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 20 26 ENDBRANCH 1 20 BRANCH 8 31 ATOM 31 N LIG 1 0.948 3.459 -1.874 0.00 0.00 -0.327 N ATOM 32 H LIG 1 0.225 4.117 -1.576 0.00 0.00 +0.148 HD BRANCH 31 33 ATOM 33 C LIG 1 2.234 4.164 -1.954 0.00 0.00 +0.118 C BRANCH 33 34 ATOM 34 C LIG 1 2.240 5.448 -1.091 0.00 0.00 +0.096 C BRANCH 34 35 ATOM 35 N LIG 1 1.508 5.321 0.174 0.00 0.00 -0.329 NA ATOM 36 H LIG 1 1.832 6.033 0.828 0.00 0.00 +0.118 HD ATOM 37 H LIG 1 1.747 4.415 0.588 0.00 0.00 +0.118 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 8 31 TORSDOF 8