REMARK Name = BDB005064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 0.614 0.050 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.253 -0.167 -0.551 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.841 -1.205 0.199 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.909 -1.972 -0.296 0.00 0.00 +0.033 A ATOM 5 C LIG 1 3.340 -1.722 -1.601 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.764 -0.708 -2.369 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.727 0.064 -1.849 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.407 -3.034 0.489 0.00 0.00 -0.299 N ATOM 9 H LIG 1 3.125 -2.948 1.459 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 4.669 -3.674 0.426 0.00 0.00 +0.123 A ATOM 11 N LIG 1 5.672 -3.187 -0.333 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 6.847 -3.855 -0.347 0.00 0.00 +0.113 A ATOM 13 C LIG 1 7.085 -5.014 0.368 0.00 0.00 +0.020 A ATOM 14 C LIG 1 6.052 -5.520 1.141 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.832 -4.845 1.169 0.00 0.00 +0.044 A ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 N LIG 1 -1.167 0.022 -0.428 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -1.028 -0.431 -1.329 0.00 0.00 +0.148 HD BRANCH 16 21 ATOM 18 C LIG 1 -4.869 -2.985 0.435 0.00 0.00 +0.063 A ATOM 19 C LIG 1 -3.679 -2.361 0.870 0.00 0.00 +0.088 A ATOM 20 C LIG 1 -3.046 -1.472 -0.022 0.00 0.00 +0.041 A ATOM 21 C LIG 1 -1.847 -0.872 0.424 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -1.357 -1.091 1.653 0.00 0.00 -0.220 NA ATOM 23 C LIG 1 -2.034 -1.937 2.426 0.00 0.00 +0.223 A ATOM 24 C LIG 1 -3.620 -1.211 -1.292 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -4.794 -1.831 -1.698 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -3.154 -2.588 2.094 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -5.413 -2.721 -0.836 0.00 0.00 +0.015 A BRANCH 18 31 ATOM 28 N LIG 1 -5.162 -4.272 2.511 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -4.321 -3.831 2.872 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -5.690 -4.905 3.094 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -5.639 -3.957 1.274 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -6.678 -4.470 0.872 0.00 0.00 -0.270 OA ENDBRANCH 18 31 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 1 33 ATOM 33 C LIG 1 0.104 2.111 -0.335 0.00 0.00 +0.042 C BRANCH 33 34 ATOM 34 C LIG 1 -0.878 2.920 0.531 0.00 0.00 +0.086 C BRANCH 34 35 ATOM 35 N LIG 1 -0.932 4.370 0.287 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -1.432 4.709 -1.049 0.00 0.00 +0.084 C ATOM 37 C LIG 1 -1.668 6.216 -1.173 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -0.407 7.005 -0.835 0.00 0.00 +0.002 C ATOM 39 C LIG 1 0.147 6.574 0.519 0.00 0.00 +0.015 C ATOM 40 C LIG 1 0.328 5.056 0.588 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 9