REMARK Name = BDB005572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.401 0.318 -0.529 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -0.619 -0.748 -0.990 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.772 -0.711 -0.850 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.421 0.388 -0.265 0.00 0.00 +0.020 A ATOM 5 C LIG 1 2.900 0.371 -0.165 0.00 0.00 +0.045 A ATOM 6 N LIG 1 3.568 1.490 0.327 0.00 0.00 -0.343 N ATOM 7 H LIG 1 3.077 2.361 0.142 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 5.015 1.615 0.191 0.00 0.00 +0.102 C ATOM 9 C LIG 1 5.667 0.264 0.460 0.00 0.00 +0.023 C ATOM 10 C LIG 1 5.077 -0.816 -0.454 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.578 -0.725 -0.564 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.879 -1.894 -1.161 0.00 0.00 +0.254 A ATOM 13 O LIG 1 3.488 -2.890 -1.541 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 0.625 1.436 0.218 0.00 0.00 +0.012 A ATOM 15 N LIG 1 1.523 -1.806 -1.288 0.00 0.00 -0.322 N ATOM 16 H LIG 1 1.068 -2.611 -1.695 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -0.768 1.404 0.086 0.00 0.00 +0.004 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -2.906 0.278 -0.656 0.00 0.00 +0.050 C BRANCH 18 19 ATOM 19 C LIG 1 -3.562 -0.378 0.574 0.00 0.00 +0.088 C BRANCH 19 21 ATOM 20 C LIG 1 -5.689 0.822 0.566 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -5.030 -0.480 0.572 0.00 0.00 -0.308 NA ATOM 22 C LIG 1 -5.538 -1.332 -0.499 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3