REMARK Name = BDB011660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 -1.177 -0.297 0.00 0.00 +0.270 C ATOM 2 N LIG 1 -0.916 -0.328 0.115 0.00 0.00 -0.274 N ATOM 3 H LIG 1 -0.597 0.520 0.587 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.062 -2.156 -1.021 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.258 -0.374 -0.134 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -3.099 0.821 0.171 0.00 0.00 +0.289 A ATOM 7 O LIG 1 -2.671 1.813 0.743 0.00 0.00 -0.264 OA ATOM 8 N LIG 1 -4.406 0.548 -0.250 0.00 0.00 -0.245 N ATOM 9 N LIG 1 -4.438 -0.822 -0.675 0.00 0.00 -0.287 N ATOM 10 C LIG 1 -5.210 -1.065 -1.899 0.00 0.00 +0.170 C ATOM 11 C LIG 1 -3.117 -1.302 -0.587 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -2.839 -2.737 -0.900 0.00 0.00 +0.067 C BRANCH 8 13 ATOM 13 C LIG 1 -5.522 1.106 0.523 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -6.667 1.614 -0.368 0.00 0.00 +0.027 C ATOM 15 C LIG 1 -7.954 1.780 0.428 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -8.432 0.454 1.023 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -7.302 -0.524 1.348 0.00 0.00 +0.002 C ATOM 18 C LIG 1 -5.995 0.190 1.673 0.00 0.00 +0.027 C ENDBRANCH 8 13 ENDBRANCH 2 5 BRANCH 1 24 ATOM 19 C LIG 1 2.947 -2.674 -0.748 0.00 0.00 +0.050 C ATOM 20 C LIG 1 2.679 -1.412 -0.019 0.00 0.00 +0.026 A ATOM 21 C LIG 1 3.586 -0.578 0.607 0.00 0.00 +0.169 A ATOM 22 O LIG 1 2.914 0.452 1.188 0.00 0.00 -0.356 OA ATOM 23 N LIG 1 1.569 0.348 0.921 0.00 0.00 -0.073 NA ATOM 24 C LIG 1 1.418 -0.768 0.185 0.00 0.00 +0.171 A BRANCH 21 25 ATOM 25 C LIG 1 5.059 -0.583 0.805 0.00 0.00 +0.187 C ATOM 26 O LIG 1 5.670 -1.302 -0.287 0.00 0.00 -0.368 OA ATOM 27 C LIG 1 6.754 -0.515 -0.807 0.00 0.00 +0.164 C ATOM 28 C LIG 1 7.082 0.511 0.265 0.00 0.00 +0.020 C ATOM 29 C LIG 1 5.696 0.803 0.808 0.00 0.00 +0.045 C BRANCH 28 30 ATOM 30 C LIG 1 7.910 1.733 -0.170 0.00 0.00 -0.012 C ATOM 31 C LIG 1 9.316 1.304 -0.603 0.00 0.00 +0.007 C ATOM 32 C LIG 1 7.276 2.581 -1.276 0.00 0.00 +0.007 C ENDBRANCH 28 30 ENDBRANCH 21 25 ENDBRANCH 1 24 TORSDOF 5