REMARK Name = BDB006392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.938 -0.176 -1.115 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.901 0.228 0.229 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.794 0.961 0.711 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.455 1.510 1.987 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.780 2.130 1.857 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.192 1.975 0.547 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.584 2.854 2.883 0.00 0.00 +0.064 C ATOM 8 C LIG 1 1.272 1.430 3.230 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.248 1.259 -0.169 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.233 0.841 -1.511 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.873 0.117 -1.966 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.314 -0.703 -1.075 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.423 0.112 -0.485 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.092 -0.942 -1.664 0.00 0.00 +0.244 C ATOM 15 O LIG 1 2.938 -1.708 -2.608 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.514 -1.292 -1.621 0.00 0.00 +0.139 C BRANCH 16 20 ATOM 17 C LIG 1 8.850 -0.484 1.005 0.00 0.00 +0.120 A ATOM 18 C LIG 1 8.640 0.296 -0.135 0.00 0.00 +0.046 A ATOM 19 C LIG 1 7.569 0.034 -0.992 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.691 -1.022 -0.723 0.00 0.00 -0.030 A ATOM 21 C LIG 1 6.899 -1.795 0.427 0.00 0.00 +0.009 A ATOM 22 C LIG 1 7.973 -1.531 1.284 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 10.222 -0.913 2.898 0.00 0.00 +0.277 C ATOM 24 O LIG 1 9.932 -0.117 1.756 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -2.413 2.536 -0.038 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.471 1.501 -0.342 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -4.213 1.603 -1.529 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.229 0.687 -1.819 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.541 -0.345 -0.923 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.805 -0.442 0.266 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.789 0.473 0.557 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.597 -1.318 -1.235 0.00 0.00 -0.004 A ATOM 33 C LIG 1 -7.975 -1.032 -1.141 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -8.926 -2.006 -1.499 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -8.520 -3.263 -1.946 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.164 -3.561 -2.035 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.214 -2.598 -1.685 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -8.461 0.277 -0.629 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -7.944 0.989 0.208 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -9.613 0.643 -1.227 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -9.814 1.511 -0.818 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9