REMARK Name = BDB008763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.347 1.057 -0.827 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.224 1.586 -0.310 0.00 0.00 -0.223 NA ATOM 3 C LIG 1 -0.752 0.748 0.108 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -0.695 -0.645 0.029 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.477 -1.183 -0.544 0.00 0.00 -0.004 A ATOM 6 C LIG 1 1.496 -0.309 -0.971 0.00 0.00 +0.053 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.793 -1.489 0.511 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.015 -1.734 1.856 0.00 0.00 +0.122 A ATOM 9 N LIG 1 -3.014 -2.504 2.336 0.00 0.00 -0.243 NA ATOM 10 C LIG 1 -3.825 -3.043 1.413 0.00 0.00 +0.221 A ATOM 11 N LIG 1 -3.727 -2.877 0.086 0.00 0.00 -0.243 NA ATOM 12 C LIG 1 -2.704 -2.101 -0.333 0.00 0.00 +0.122 A ENDBRANCH 4 7 BRANCH 5 13 ATOM 13 C LIG 1 0.686 -2.631 -0.706 0.00 0.00 -0.014 A ATOM 14 C LIG 1 0.570 -3.234 -1.964 0.00 0.00 +0.028 A ATOM 15 C LIG 1 0.784 -4.598 -2.071 0.00 0.00 +0.111 A ATOM 16 N LIG 1 1.109 -5.390 -1.029 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 1.219 -4.794 0.176 0.00 0.00 +0.111 A ATOM 18 C LIG 1 1.023 -3.439 0.385 0.00 0.00 +0.028 A ENDBRANCH 5 13 BRANCH 1 20 ATOM 19 C LIG 1 3.549 2.075 -1.637 0.00 0.00 +0.235 C ATOM 20 N LIG 1 2.263 2.036 -1.197 0.00 0.00 -0.269 N ATOM 21 H LIG 1 1.881 2.966 -1.065 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 4.013 3.195 -1.888 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 4.419 0.814 -1.802 0.00 0.00 +0.137 C ATOM 24 C LIG 1 5.759 1.139 -2.473 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 5.213 0.911 0.534 0.00 0.00 +0.101 C ATOM 26 N LIG 1 4.611 0.095 -0.518 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 5.219 -0.710 -0.684 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 -1.881 1.440 0.651 0.00 0.00 -0.040 C ATOM 29 C LIG 1 -2.838 2.002 1.111 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -3.989 2.656 1.652 0.00 0.00 +0.025 A ATOM 31 C LIG 1 -3.935 4.015 1.972 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -5.063 4.655 2.492 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.241 3.937 2.698 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.294 2.579 2.381 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.169 1.938 1.859 0.00 0.00 +0.017 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 7