REMARK Name = BDB024688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.792 -0.560 -2.776 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.608 -1.189 -2.352 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.365 -2.554 -2.866 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.320 -3.574 -2.224 0.00 0.00 +0.028 C ATOM 5 C LIG 1 1.929 -3.072 -2.681 0.00 0.00 +0.027 C ATOM 6 C LIG 1 0.928 -1.956 -2.885 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.223 -0.900 -1.859 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.200 -0.244 -1.145 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.155 -0.422 -1.229 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.694 0.397 -0.351 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.716 1.137 0.291 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.510 0.730 -0.203 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.831 1.095 0.069 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.842 0.443 -0.650 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.565 -0.532 -1.618 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.682 -1.138 -3.395 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.937 2.150 1.321 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.501 3.561 0.877 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -0.092 4.463 2.055 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -0.942 4.168 3.294 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -0.775 2.726 3.782 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.354 1.750 2.682 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.200 5.883 1.676 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -0.291 7.000 1.377 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.023 1.429 -2.994 0.00 0.00 +0.282 C ATOM 26 O LIG 1 4.852 0.776 -2.506 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -3.170 0.494 -0.103 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.608 -0.287 1.149 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.553 -1.798 0.985 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.392 -2.469 0.082 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.325 -3.857 -0.054 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.418 -4.590 0.706 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.576 -3.938 1.603 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.642 -2.550 1.742 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.996 0.176 1.546 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.923 0.447 0.800 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.148 0.285 2.883 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.094 0.521 2.997 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8