REMARK Name = BDB038951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.301 -0.122 1.000 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.261 0.481 0.315 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.030 -0.286 0.162 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.850 0.509 -0.335 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.965 1.872 -0.695 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.849 2.591 -1.144 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.595 1.987 -1.274 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.497 0.634 -0.928 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.560 -0.266 -0.915 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.067 -1.499 -0.524 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.220 -1.389 -0.235 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.292 2.574 -0.540 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.585 -0.096 -0.478 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.461 1.595 -0.604 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.201 -1.183 1.605 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.737 -2.840 -0.414 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.190 -3.041 -0.802 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.496 -4.428 -0.250 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.766 -4.474 1.087 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -0.701 -3.377 1.025 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 22 ATOM 21 C LIG 1 8.552 0.005 1.635 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.458 0.594 0.932 0.00 0.00 -0.454 OA ENDBRANCH 1 22 BRANCH 9 23 ATOM 23 C LIG 1 -1.907 0.128 -1.286 0.00 0.00 +0.132 C BRANCH 23 24 ATOM 24 C LIG 1 -2.645 0.959 -0.210 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -3.971 1.454 -0.776 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -4.159 2.827 -1.001 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.362 3.305 -1.524 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.391 2.418 -1.830 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.219 1.053 -1.612 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.017 0.572 -1.089 0.00 0.00 +0.004 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -2.828 0.208 1.119 0.00 0.00 +0.130 C BRANCH 31 32 ATOM 32 C LIG 1 -3.417 1.070 2.203 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -4.354 0.766 2.923 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -2.764 2.231 2.384 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -3.236 2.651 3.134 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 8