REMARK Name = BDB024169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.002 -0.077 0.674 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.232 0.227 2.148 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.986 1.500 2.688 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.212 1.754 4.042 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.699 0.746 4.871 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.968 -0.516 4.346 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.742 -0.773 2.993 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.649 0.511 0.174 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.435 -0.248 0.561 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.291 -1.042 1.173 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.598 1.545 -0.492 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.784 -0.039 0.289 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.587 -0.959 0.855 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -3.922 -0.828 0.641 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -4.537 0.165 -0.129 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -3.661 1.096 -0.688 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.279 0.997 -0.485 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -5.934 0.203 -0.284 0.00 0.00 -0.328 N ATOM 19 C LIG 1 -6.474 -0.997 -0.954 0.00 0.00 +0.111 C ATOM 20 C LIG 1 -7.975 -1.073 -0.725 0.00 0.00 +0.094 C ATOM 21 C LIG 1 -8.626 0.218 -1.166 0.00 0.00 +0.252 C ATOM 22 F LIG 1 -9.955 0.167 -0.890 0.00 0.00 -0.206 F ATOM 23 F LIG 1 -8.526 0.335 -2.517 0.00 0.00 -0.206 F ATOM 24 C LIG 1 -8.026 1.442 -0.511 0.00 0.00 +0.094 C ATOM 25 C LIG 1 -6.526 1.466 -0.754 0.00 0.00 +0.111 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 3.135 0.444 -0.121 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 3.002 1.454 -0.207 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.193 -0.145 -1.465 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.420 0.352 -2.248 0.00 0.00 +0.050 C BRANCH 29 33 ATOM 30 C LIG 1 8.112 -1.519 -0.998 0.00 0.00 +0.052 A ATOM 31 C LIG 1 7.572 -0.467 -0.254 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.381 0.140 -0.662 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.716 -0.297 -1.815 0.00 0.00 -0.046 A ATOM 34 C LIG 1 6.262 -1.356 -2.554 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.454 -1.962 -2.149 0.00 0.00 +0.019 A BRANCH 30 37 ATOM 36 N LIG 1 10.320 -2.654 -0.245 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 9.332 -2.144 -0.580 0.00 0.00 +0.099 C ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9