REMARK Name = BDB013830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.498 0.144 -0.462 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -0.404 -0.611 0.229 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.849 0.470 -0.679 0.00 0.00 +0.060 A ATOM 4 C LIG 1 -2.893 -0.425 -0.365 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -4.223 -0.111 -0.678 0.00 0.00 +0.036 A ATOM 6 C LIG 1 -4.483 1.086 -1.314 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -3.525 1.964 -1.658 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -2.247 1.628 -1.352 0.00 0.00 +0.134 A BRANCH 4 9 ATOM 9 C LIG 1 -2.598 -1.695 0.348 0.00 0.00 +0.339 C ATOM 10 O LIG 1 -1.558 -1.971 0.920 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -3.623 -2.567 0.316 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -3.282 -3.351 0.797 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 4 9 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 0.456 1.219 -0.222 0.00 0.00 +0.137 C BRANCH 13 17 ATOM 14 C LIG 1 4.236 -0.542 0.914 0.00 0.00 +0.052 A ATOM 15 C LIG 1 3.836 -0.539 -0.425 0.00 0.00 +0.019 A ATOM 16 C LIG 1 2.616 0.035 -0.790 0.00 0.00 +0.006 A ATOM 17 C LIG 1 1.784 0.619 0.178 0.00 0.00 -0.030 A ATOM 18 C LIG 1 2.188 0.602 1.521 0.00 0.00 +0.006 A ATOM 19 C LIG 1 3.409 0.029 1.887 0.00 0.00 +0.019 A BRANCH 14 21 ATOM 20 N LIG 1 6.502 -1.606 1.597 0.00 0.00 -0.191 NA ATOM 21 C LIG 1 5.488 -1.131 1.291 0.00 0.00 +0.099 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 6