REMARK Name = BDB023663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.891 -0.140 0.451 0.00 0.00 -0.026 A ATOM 2 C LIG 1 0.670 0.550 0.514 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -0.542 -0.148 0.596 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -1.852 0.582 0.742 0.00 0.00 +0.054 C ATOM 5 C LIG 1 -3.015 -0.233 0.154 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -4.364 0.433 0.442 0.00 0.00 +0.132 C ATOM 7 N LIG 1 -4.516 1.459 -0.631 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -3.646 1.083 -1.776 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -2.973 -1.658 0.688 0.00 0.00 +0.225 C ATOM 10 N LIG 1 -1.736 -2.245 0.746 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -1.723 -3.234 0.963 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.979 -2.307 0.966 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -3.013 -0.246 -1.382 0.00 0.00 +0.037 C ATOM 14 C LIG 1 -0.530 -1.545 0.634 0.00 0.00 +0.037 A ATOM 15 C LIG 1 0.672 -2.245 0.596 0.00 0.00 +0.024 A ATOM 16 C LIG 1 1.875 -1.544 0.498 0.00 0.00 +0.007 A ENDROOT BRANCH 1 19 ATOM 17 C LIG 1 3.951 0.238 -1.997 0.00 0.00 +0.129 C ATOM 18 N LIG 1 4.150 0.023 -0.577 0.00 0.00 -0.332 N ATOM 19 C LIG 1 3.194 0.631 0.374 0.00 0.00 +0.107 C ATOM 20 C LIG 1 3.980 0.625 1.719 0.00 0.00 +0.055 C ATOM 21 C LIG 1 5.369 0.215 1.309 0.00 0.00 -0.010 C ATOM 22 C LIG 1 5.390 -0.093 0.010 0.00 0.00 +0.066 C ENDBRANCH 1 19 BRANCH 7 23 ATOM 23 C LIG 1 -5.551 2.304 -0.720 0.00 0.00 +0.169 C ATOM 24 N LIG 1 -6.442 3.037 -0.800 0.00 0.00 -0.174 NA ENDBRANCH 7 23 TORSDOF 2