REMARK Name = BDB021545 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.280 0.834 -0.104 0.00 0.00 +0.123 A ATOM 2 C LIG 1 2.356 0.062 0.605 0.00 0.00 +0.069 A ATOM 3 C LIG 1 0.962 0.039 0.312 0.00 0.00 +0.045 A ATOM 4 N LIG 1 0.156 -0.766 1.135 0.00 0.00 -0.331 N ATOM 5 C LIG 1 -1.221 -1.107 0.768 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -1.392 -1.414 -0.718 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -1.659 -0.191 -1.458 0.00 0.00 -0.293 N ATOM 8 C LIG 1 -0.835 0.923 -1.354 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.206 2.015 -1.794 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.335 -0.551 2.582 0.00 0.00 +0.129 C ATOM 11 C LIG 1 0.545 0.803 -0.799 0.00 0.00 +0.058 A ATOM 12 C LIG 1 1.485 1.583 -1.512 0.00 0.00 +0.018 A ATOM 13 C LIG 1 2.833 1.599 -1.168 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 4.625 0.902 0.120 0.00 0.00 -0.489 OA BRANCH 14 18 ATOM 15 N LIG 1 7.835 -0.664 1.464 0.00 0.00 -0.296 NA ATOM 16 C LIG 1 6.924 -1.363 0.554 0.00 0.00 +0.060 C ATOM 17 C LIG 1 5.517 -1.135 1.145 0.00 0.00 +0.063 C ATOM 18 C LIG 1 5.164 0.357 1.336 0.00 0.00 +0.176 C ATOM 19 C LIG 1 6.393 1.216 1.717 0.00 0.00 +0.063 C ATOM 20 C LIG 1 7.093 -0.671 -0.802 0.00 0.00 +0.020 C ATOM 21 C LIG 1 7.617 0.723 -0.462 0.00 0.00 +0.020 C ATOM 22 C LIG 1 7.707 0.740 1.065 0.00 0.00 +0.060 C BRANCH 15 24 ATOM 23 C LIG 1 10.037 -1.407 0.347 0.00 0.00 +0.020 C ATOM 24 C LIG 1 9.189 -1.195 1.592 0.00 0.00 +0.081 C ENDBRANCH 15 24 ENDBRANCH 14 18 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 -2.887 -0.095 -2.257 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -4.113 0.518 -1.536 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.790 1.770 -0.919 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -2.968 2.110 -1.337 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.717 -0.454 -0.491 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -6.081 -0.204 0.014 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -7.116 -0.464 -0.998 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -8.522 -0.164 -0.515 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.740 0.686 0.585 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -10.049 0.977 0.993 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -11.137 0.445 0.300 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -10.926 -0.383 -0.801 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.565 1.229 1.361 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -9.625 -0.684 -1.209 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.250 1.144 0.573 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 8