REMARK Name = BDB024784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.813 -3.652 0.303 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.490 -2.294 0.471 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.519 -1.381 1.008 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.486 -1.354 2.540 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.430 0.010 0.387 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.070 0.618 0.638 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.970 -0.336 0.269 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.677 0.177 0.009 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.246 1.483 0.034 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.029 1.459 -0.297 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.444 0.162 -0.516 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.634 -0.672 -0.322 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.796 -2.052 -0.396 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.077 -2.557 -0.128 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.177 -1.740 0.198 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.117 -4.514 -0.221 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.451 -5.318 0.630 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.055 -3.954 0.793 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.779 -0.269 -0.894 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.640 -0.601 0.331 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 4.035 -0.934 0.026 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 4.469 -0.204 -0.537 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.183 -2.240 -0.631 0.00 0.00 +0.136 C BRANCH 23 24 ATOM 24 C LIG 1 5.631 -2.685 -0.724 0.00 0.00 +0.058 A ATOM 25 N LIG 1 5.997 -3.768 -0.001 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 7.285 -4.135 -0.082 0.00 0.00 +0.221 A ATOM 27 N LIG 1 8.231 -3.539 -0.822 0.00 0.00 -0.244 NA ATOM 28 C LIG 1 7.822 -2.475 -1.533 0.00 0.00 +0.114 A ATOM 29 C LIG 1 6.529 -1.999 -1.523 0.00 0.00 +0.044 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.926 2.651 -0.407 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.161 3.968 -0.256 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.062 5.125 -0.253 0.00 0.00 -0.315 N ATOM 33 C LIG 1 1.544 5.596 -1.476 0.00 0.00 +0.251 A ATOM 34 O LIG 1 1.275 5.105 -2.570 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 2.454 6.773 -1.407 0.00 0.00 +0.070 A ATOM 36 C LIG 1 2.785 7.302 -0.222 0.00 0.00 +0.007 A ATOM 37 C LIG 1 2.270 6.738 0.999 0.00 0.00 +0.018 A ATOM 38 C LIG 1 1.440 5.689 0.955 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9