REMARK Name = BDB024865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.504 -4.740 -1.342 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -2.781 -3.506 -0.724 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.893 -3.435 0.246 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.421 -3.828 1.652 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.596 -2.082 0.215 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.621 -0.969 0.521 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.387 -1.081 -0.328 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.583 0.066 -0.521 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.757 1.339 -0.028 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.755 2.057 -0.492 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.085 1.277 -1.257 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.434 0.001 -1.292 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.012 -1.178 -1.897 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.806 -2.317 -1.692 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.986 -2.308 -0.925 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -1.671 -4.957 -2.213 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.069 -7.025 -1.463 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.300 -5.748 -0.865 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.330 1.682 -1.891 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.557 1.067 -1.242 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.557 1.008 0.137 0.00 0.00 -0.312 N ATOM 22 H LIG 1 1.692 1.162 0.642 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.512 0.689 -1.918 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.646 0.382 0.871 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 C LIG 1 3.694 -1.141 0.685 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 N LIG 1 4.348 -1.824 1.787 0.00 0.00 -0.283 N ATOM 27 C LIG 1 5.713 -1.733 2.041 0.00 0.00 +0.302 C ATOM 28 O LIG 1 6.573 -1.265 1.318 0.00 0.00 -0.253 OA ATOM 29 N LIG 1 5.939 -2.262 3.303 0.00 0.00 -0.298 N ATOM 30 H LIG 1 6.888 -2.465 3.587 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 4.746 -2.877 3.818 0.00 0.00 +0.124 C ATOM 32 C LIG 1 3.641 -2.254 2.975 0.00 0.00 +0.128 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 33 ATOM 33 C LIG 1 -0.561 3.513 -0.223 0.00 0.00 +0.096 C BRANCH 33 34 ATOM 34 C LIG 1 -1.224 4.363 -1.308 0.00 0.00 +0.132 C BRANCH 34 35 ATOM 35 N LIG 1 -0.866 5.775 -1.192 0.00 0.00 -0.315 N ATOM 36 C LIG 1 0.377 6.178 -1.683 0.00 0.00 +0.251 A ATOM 37 O LIG 1 1.196 5.419 -2.196 0.00 0.00 -0.268 OA ATOM 38 C LIG 1 0.697 7.624 -1.542 0.00 0.00 +0.070 A ATOM 39 C LIG 1 -0.172 8.449 -0.945 0.00 0.00 +0.007 A ATOM 40 C LIG 1 -1.423 7.950 -0.433 0.00 0.00 +0.018 A ATOM 41 C LIG 1 -1.732 6.655 -0.566 0.00 0.00 +0.089 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9