REMARK Name = BDB006926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.193 -0.459 -0.093 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.987 -0.910 0.483 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -2.213 -0.216 0.490 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -3.194 -0.957 1.153 0.00 0.00 -0.019 A ATOM 5 C LIG 1 -4.490 -0.473 1.280 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -4.800 0.772 0.733 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.819 1.531 0.066 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -2.647 -2.265 1.668 0.00 0.00 +0.008 C ATOM 9 C LIG 1 -3.384 -3.464 1.063 0.00 0.00 +0.017 C ATOM 10 C LIG 1 -2.698 -2.322 3.199 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -2.513 1.024 -0.053 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -1.182 -2.202 1.165 0.00 0.00 +0.124 C ATOM 13 O LIG 1 0.309 0.625 -0.675 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 1.424 -1.381 0.030 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 2.874 0.326 4.470 0.00 0.00 +0.025 C ATOM 16 C LIG 1 3.302 0.140 3.015 0.00 0.00 +0.065 C ATOM 17 N LIG 1 4.516 -0.695 2.982 0.00 0.00 -0.310 NA ATOM 18 H LIG 1 5.270 -0.224 3.482 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 4.925 -0.919 1.584 0.00 0.00 +0.109 C ATOM 20 C LIG 1 3.787 -1.479 0.693 0.00 0.00 +0.158 C ATOM 21 N LIG 1 2.515 -0.703 0.771 0.00 0.00 -0.280 NA ATOM 22 C LIG 1 2.151 -0.494 2.189 0.00 0.00 +0.104 C BRANCH 20 23 ATOM 23 C LIG 1 4.308 -1.619 -0.756 0.00 0.00 +0.234 C ATOM 24 N LIG 1 4.633 -0.491 -1.509 0.00 0.00 -0.296 N ATOM 25 C LIG 1 4.043 0.837 -1.279 0.00 0.00 +0.136 C ATOM 26 C LIG 1 4.867 1.951 -1.935 0.00 0.00 +0.179 C ATOM 27 O LIG 1 5.107 1.685 -3.323 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 5.821 0.452 -3.476 0.00 0.00 +0.179 C ATOM 29 C LIG 1 5.026 -0.722 -2.903 0.00 0.00 +0.136 C ATOM 30 O LIG 1 4.473 -2.757 -1.214 0.00 0.00 -0.274 OA ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 -4.170 2.875 -0.534 0.00 0.00 +0.070 C BRANCH 31 32 ATOM 32 C LIG 1 -4.987 2.781 -1.802 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.348 3.122 -1.802 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.100 3.030 -2.975 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.502 2.596 -4.157 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.152 2.252 -4.168 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.398 2.344 -2.997 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 5