REMARK Name = BDB025018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.311 -2.404 0.691 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.766 -1.129 0.456 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.628 0.075 0.559 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.646 0.135 -0.595 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.874 1.415 0.568 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.603 1.308 1.377 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.750 0.253 0.736 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.354 0.412 0.598 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.574 1.479 0.956 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.661 1.171 0.614 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.713 -0.105 0.074 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.581 -0.595 0.033 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.151 -1.786 -0.422 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.537 -1.938 -0.278 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.347 -0.950 0.297 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.703 -3.470 0.676 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.919 -0.805 -0.367 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.186 -2.101 0.418 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.483 -2.769 -0.039 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -3.455 -3.009 -1.557 0.00 0.00 -0.004 C ATOM 21 C LIG 1 -4.653 -3.853 -2.078 0.00 0.00 +0.089 C ATOM 22 N LIG 1 -3.812 -5.058 -1.940 0.00 0.00 -0.315 NA ATOM 23 H LIG 1 -3.922 -5.750 -2.680 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 -2.603 -4.220 -2.042 0.00 0.00 +0.089 C ATOM 25 C LIG 1 -3.247 -1.701 -2.325 0.00 0.00 +0.011 C ATOM 26 C LIG 1 -1.944 -1.034 -1.887 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.241 -3.618 1.275 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.644 -2.351 0.998 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.847 2.088 0.803 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.531 1.774 2.139 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -1.396 3.565 0.729 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -2.547 4.542 0.635 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -3.237 4.711 -0.573 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.307 5.603 -0.658 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.697 6.334 0.463 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.015 6.176 1.668 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.945 5.284 1.755 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 5