REMARK Name = BDB058048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.789 -0.950 2.448 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -1.908 -0.794 3.528 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.529 -0.690 3.319 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.008 -0.741 2.023 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.874 -0.933 0.942 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -2.253 -1.041 1.156 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -6.780 0.659 -0.982 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -6.403 0.117 0.235 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -5.120 -0.124 0.671 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -5.235 -0.693 1.932 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -6.663 -0.819 2.320 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -7.149 -1.268 3.335 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -4.228 -1.070 2.732 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -7.365 -0.269 1.167 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -8.722 -0.127 0.952 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -9.117 0.436 -0.262 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -8.158 0.828 -1.220 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -6.138 1.065 -3.294 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -5.398 1.230 -3.965 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -6.963 0.587 -3.625 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -5.758 1.060 -1.979 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -4.613 1.354 -1.664 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 1.464 -0.615 1.841 0.00 0.00 +0.244 C ATOM 24 N LIG 1 1.883 -0.055 0.650 0.00 0.00 -0.308 N ATOM 25 H LIG 1 1.194 0.413 0.075 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 2.226 -0.969 2.732 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 3.296 0.214 0.389 0.00 0.00 +0.076 C ATOM 28 C LIG 1 4.095 -1.088 0.217 0.00 0.00 +0.041 C ATOM 29 C LIG 1 5.140 -1.026 -0.899 0.00 0.00 +0.110 C ATOM 30 N LIG 1 5.768 0.284 -0.924 0.00 0.00 -0.300 N ATOM 31 C LIG 1 4.920 1.462 -1.070 0.00 0.00 +0.110 C ATOM 32 C LIG 1 3.449 1.130 -0.823 0.00 0.00 +0.041 C BRANCH 30 33 ATOM 33 C LIG 1 7.022 0.384 -1.513 0.00 0.00 +0.218 A ATOM 34 N LIG 1 7.693 -0.739 -1.826 0.00 0.00 -0.223 NA ATOM 35 C LIG 1 8.919 -0.611 -2.369 0.00 0.00 +0.116 A ATOM 36 C LIG 1 9.514 0.597 -2.620 0.00 0.00 +0.039 A ATOM 37 C LIG 1 8.764 1.690 -2.276 0.00 0.00 +0.116 A ATOM 38 N LIG 1 7.535 1.609 -1.732 0.00 0.00 -0.223 NA ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 4 23 TORSDOF 5