REMARK Name = BDB024933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.202 -0.944 -0.841 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.266 -1.467 0.070 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.522 -2.773 0.726 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.673 -2.669 1.743 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.318 -3.379 1.466 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.041 -3.143 0.694 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.862 -1.659 0.564 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.596 -1.052 0.701 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.606 -1.635 0.998 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -1.510 -0.674 0.964 0.00 0.00 +0.131 A ATOM 11 N LIG 1 -0.901 0.550 0.735 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.447 0.319 0.531 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.535 1.140 0.224 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.789 0.529 0.084 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.975 -0.852 0.239 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.096 0.102 -1.473 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.568 1.850 0.719 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.067 2.797 1.826 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.783 4.158 1.819 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.808 4.782 0.419 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.332 3.825 -0.651 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.555 2.512 -0.665 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.188 4.057 2.398 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.823 3.019 2.506 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.690 5.250 2.787 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.086 6.006 2.664 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.244 -1.304 -1.956 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.283 -1.766 -1.006 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.976 -0.900 1.189 0.00 0.00 +0.197 C BRANCH 29 30 ATOM 30 N LIG 1 -3.775 -0.650 -0.005 0.00 0.00 -0.325 N ATOM 31 C LIG 1 -3.745 -1.403 -1.155 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -4.647 -0.842 -2.056 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.759 -1.437 -3.322 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -3.961 -2.553 -3.587 0.00 0.00 +0.040 A ATOM 35 C LIG 1 -3.106 -3.026 -2.595 0.00 0.00 +0.142 A ATOM 36 C LIG 1 -5.264 0.255 -1.399 0.00 0.00 +0.029 A ATOM 37 N LIG 1 -2.971 -2.486 -1.361 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -4.733 0.333 -0.129 0.00 0.00 +0.089 A BRANCH 35 39 ATOM 39 C LIG 1 -2.286 -4.181 -2.851 0.00 0.00 +0.119 C ATOM 40 N LIG 1 -1.653 -5.121 -3.110 0.00 0.00 -0.189 NA ENDBRANCH 35 39 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7