REMARK Name = BDB060704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.429 1.429 1.350 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.957 0.593 0.353 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.584 -0.614 0.694 0.00 0.00 +0.065 A ATOM 4 C LIG 1 -1.703 -1.017 2.022 0.00 0.00 +0.078 A ATOM 5 N LIG 1 -2.323 -2.218 2.392 0.00 0.00 -0.237 NA ATOM 6 C LIG 1 -2.812 -2.953 1.450 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.774 -2.645 0.110 0.00 0.00 -0.298 N ATOM 8 C LIG 1 -1.181 -0.193 3.018 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -2.135 -1.502 -0.346 0.00 0.00 +0.262 A ATOM 10 O LIG 1 -2.000 -1.216 -1.534 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -0.552 1.014 2.687 0.00 0.00 +0.010 A ENDROOT BRANCH 1 19 ATOM 12 C LIG 1 3.043 5.690 -1.002 0.00 0.00 +0.200 A ATOM 13 N LIG 1 2.842 4.336 -1.123 0.00 0.00 -0.326 N ATOM 14 H LIG 1 3.338 3.720 -1.745 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 1.849 3.962 -0.255 0.00 0.00 +0.068 A ATOM 16 C LIG 1 1.485 5.146 0.369 0.00 0.00 +0.091 A ATOM 17 C LIG 1 0.472 5.126 1.334 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -0.141 3.900 1.639 0.00 0.00 +0.011 A ATOM 19 C LIG 1 0.235 2.700 1.004 0.00 0.00 -0.016 A ATOM 20 C LIG 1 1.255 2.728 0.030 0.00 0.00 +0.036 A ATOM 21 N LIG 1 2.231 6.194 -0.104 0.00 0.00 -0.214 NA BRANCH 12 23 ATOM 22 C LIG 1 4.224 7.690 -1.671 0.00 0.00 +0.219 C ATOM 23 N LIG 1 3.990 6.327 -1.767 0.00 0.00 -0.256 N ATOM 24 H LIG 1 4.533 5.785 -2.422 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 3.665 8.492 -0.934 0.00 0.00 -0.275 OA BRANCH 22 27 ATOM 26 C LIG 1 5.613 9.606 -2.571 0.00 0.00 +0.013 C ATOM 27 C LIG 1 5.320 8.117 -2.638 0.00 0.00 +0.093 C ENDBRANCH 22 27 ENDBRANCH 12 23 ENDBRANCH 1 19 BRANCH 7 28 ATOM 28 C LIG 1 -3.316 -3.585 -0.868 0.00 0.00 +0.131 C BRANCH 28 29 ATOM 29 C LIG 1 -2.250 -4.521 -1.454 0.00 0.00 +0.059 C BRANCH 29 30 ATOM 30 C LIG 1 -1.712 -5.494 -0.450 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.332 -6.708 -0.011 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -1.497 -7.279 0.950 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -1.803 -8.478 1.605 0.00 0.00 +0.026 A ATOM 34 C LIG 1 -3.000 -9.114 1.265 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -3.854 -8.571 0.308 0.00 0.00 +0.001 A ATOM 36 N LIG 1 -0.406 -6.452 1.082 0.00 0.00 -0.360 N ATOM 37 H LIG 1 0.365 -6.618 1.714 0.00 0.00 +0.165 HD ATOM 38 C LIG 1 -3.533 -7.371 -0.336 0.00 0.00 +0.010 A ATOM 39 C LIG 1 -0.522 -5.378 0.243 0.00 0.00 +0.087 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 7 28 TORSDOF 6