REMARK Name = BDB001955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.118 -0.027 0.052 0.00 0.00 +0.225 A ATOM 2 N LIG 1 0.106 0.805 0.269 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 -1.083 0.251 0.462 0.00 0.00 +0.225 A ATOM 4 N LIG 1 -1.296 -1.058 0.430 0.00 0.00 -0.181 NA ATOM 5 C LIG 1 -0.233 -1.816 0.209 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.985 -1.344 0.013 0.00 0.00 -0.181 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.348 0.594 -0.163 0.00 0.00 -0.283 N ATOM 8 H LIG 1 2.226 1.594 -0.113 0.00 0.00 +0.155 HD BRANCH 7 14 ATOM 9 C LIG 1 5.995 0.651 -0.856 0.00 0.00 +0.125 A ATOM 10 C LIG 1 6.343 -0.699 -0.702 0.00 0.00 -0.009 A ATOM 11 C LIG 1 7.760 -1.161 -0.901 0.00 0.00 +0.047 C ATOM 12 C LIG 1 5.349 -1.624 -0.365 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.026 -1.214 -0.178 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.660 0.126 -0.310 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.665 1.047 -0.662 0.00 0.00 +0.069 A BRANCH 9 17 ATOM 16 C LIG 1 6.715 2.867 -1.379 0.00 0.00 +0.277 C ATOM 17 O LIG 1 7.024 1.493 -1.194 0.00 0.00 -0.495 OA ENDBRANCH 9 17 ENDBRANCH 7 14 ENDBRANCH 1 7 BRANCH 3 18 ATOM 18 N LIG 1 -2.222 1.020 0.700 0.00 0.00 -0.283 N ATOM 19 H LIG 1 -3.009 0.401 0.834 0.00 0.00 +0.155 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.455 2.383 0.901 0.00 0.00 +0.034 A ATOM 21 C LIG 1 -1.453 3.357 0.924 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -1.754 4.723 1.105 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.089 5.144 1.259 0.00 0.00 +0.071 A ATOM 24 N LIG 1 -3.427 6.434 1.434 0.00 0.00 -0.255 NA ATOM 25 C LIG 1 -2.433 7.349 1.462 0.00 0.00 +0.111 A ATOM 26 C LIG 1 -1.095 7.038 1.321 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -4.080 4.177 1.225 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -0.753 5.703 1.140 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -3.777 2.821 1.046 0.00 0.00 +0.025 A ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 5 30 ATOM 30 N LIG 1 -0.348 -3.200 0.170 0.00 0.00 -0.313 N ATOM 31 H LIG 1 0.497 -3.536 -0.282 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -1.586 -3.725 -0.390 0.00 0.00 +0.109 C BRANCH 32 33 ATOM 33 C LIG 1 -2.629 -3.972 0.706 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -3.928 -4.485 0.140 0.00 0.00 -0.011 A ATOM 35 C LIG 1 -4.054 -5.822 -0.251 0.00 0.00 +0.127 A ATOM 36 F LIG 1 -3.013 -6.656 -0.116 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.241 -6.310 -0.789 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -6.329 -5.454 -0.948 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -6.220 -4.115 -0.569 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.025 -3.631 -0.029 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 9