REMARK Name = BDB038518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.075 -0.788 2.223 0.00 0.00 +0.125 A ATOM 2 C LIG 1 4.198 0.012 1.052 0.00 0.00 +0.009 A ATOM 3 C LIG 1 3.037 0.426 0.367 0.00 0.00 +0.022 A ATOM 4 C LIG 1 1.809 0.061 0.879 0.00 0.00 +0.042 A ATOM 5 C LIG 1 0.464 0.361 0.369 0.00 0.00 +0.253 C ATOM 6 N LIG 1 -0.432 -0.230 1.249 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.238 -0.935 2.329 0.00 0.00 +0.151 C ATOM 8 O LIG 1 0.272 1.000 -0.649 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.683 -0.704 2.031 0.00 0.00 -0.014 A ATOM 10 C LIG 1 2.807 -1.140 2.715 0.00 0.00 +0.052 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.837 -0.219 1.189 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.486 -0.939 2.135 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.842 -0.993 2.141 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.573 -0.302 1.178 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -3.924 0.439 0.185 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -2.527 0.480 0.210 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -4.688 1.147 -0.861 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.586 0.487 -1.735 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.325 1.230 -2.671 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.164 2.611 -2.775 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.267 3.266 -1.939 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.540 2.542 -0.990 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -5.790 -0.960 -1.705 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -4.872 -1.916 -2.063 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -3.548 -1.731 -2.594 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.471 -3.121 -1.850 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -6.691 -2.933 -1.410 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.899 -1.576 -1.333 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 15 17 BRANCH 13 29 ATOM 29 C LIG 1 -4.485 -1.844 3.220 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -5.844 -1.530 3.798 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.670 -2.730 2.910 0.00 0.00 +0.010 C ENDBRANCH 13 29 ENDBRANCH 6 11 BRANCH 1 33 ATOM 32 C LIG 1 5.184 -1.948 3.996 0.00 0.00 +0.277 C ATOM 33 O LIG 1 5.255 -1.179 2.802 0.00 0.00 -0.495 OA ENDBRANCH 1 33 BRANCH 2 34 ATOM 34 C LIG 1 5.557 0.378 0.485 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 5.616 1.792 0.092 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.532 2.348 0.944 0.00 0.00 +0.122 HD BRANCH 35 37 ATOM 37 C LIG 1 6.881 2.125 -0.575 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 C LIG 1 6.768 2.284 -2.105 0.00 0.00 +0.078 C ATOM 39 C LIG 1 5.728 3.343 -2.592 0.00 0.00 +0.036 C ATOM 40 C LIG 1 5.431 2.414 -3.784 0.00 0.00 +0.006 C ATOM 41 C LIG 1 5.942 1.240 -2.926 0.00 0.00 +0.036 C BRANCH 38 42 ATOM 42 O LIG 1 8.105 2.510 -2.632 0.00 0.00 -0.387 OA ATOM 43 H LIG 1 8.544 1.644 -2.585 0.00 0.00 +0.210 HD ENDBRANCH 38 42 ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10