REMARK Name = BDB045789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.149 0.667 -1.616 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -0.159 1.078 -1.965 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.403 1.480 -3.284 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.615 1.458 -4.242 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.892 1.026 -3.902 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.160 0.627 -2.594 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.764 0.478 0.214 0.00 0.00 -0.311 N ATOM 8 H LIG 1 3.350 1.101 -0.327 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 1.469 0.258 -0.215 0.00 0.00 +0.246 C ATOM 10 O LIG 1 0.594 -0.208 0.508 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 3.159 0.232 1.588 0.00 0.00 +0.105 C BRANCH 11 12 ATOM 12 C LIG 1 3.298 -1.256 1.920 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 4.284 -2.007 1.026 0.00 0.00 +0.122 C BRANCH 13 15 ATOM 14 O LIG 1 6.136 -0.790 2.059 0.00 0.00 -0.251 OA ATOM 15 C LIG 1 5.706 -1.554 1.213 0.00 0.00 +0.305 C BRANCH 15 16 ATOM 16 O LIG 1 6.535 -2.114 0.311 0.00 0.00 -0.481 OA ATOM 17 H LIG 1 7.421 -1.772 0.552 0.00 0.00 +0.295 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 N LIG 1 -1.181 1.058 -0.983 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -0.903 0.660 -0.081 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -2.491 1.474 -1.101 0.00 0.00 +0.249 C ATOM 21 O LIG 1 -3.013 2.030 -2.059 0.00 0.00 -0.270 OA BRANCH 20 22 ATOM 22 C LIG 1 -3.306 1.270 0.124 0.00 0.00 +0.045 A ATOM 23 C LIG 1 -3.512 -0.008 0.707 0.00 0.00 -0.006 A ATOM 24 C LIG 1 -4.272 -0.072 1.902 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -4.495 -1.311 2.525 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -3.992 -2.491 1.981 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -3.263 -2.450 0.800 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.807 1.103 2.458 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.616 2.342 1.850 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.030 -1.226 0.168 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.869 2.427 0.682 0.00 0.00 +0.014 A ENDBRANCH 20 22 ENDBRANCH 2 18 TORSDOF 8