REMARK Name = BDB001505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.858 2.838 -0.876 0.00 0.00 -0.297 N ATOM 2 H LIG 1 0.628 3.776 -0.563 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.218 2.550 -0.590 0.00 0.00 +0.164 A ATOM 4 C LIG 1 3.144 3.566 -0.751 0.00 0.00 +0.181 A ATOM 5 F LIG 1 2.781 4.803 -1.119 0.00 0.00 -0.200 F ATOM 6 C LIG 1 4.453 3.257 -0.496 0.00 0.00 +0.156 A ATOM 7 N LIG 1 4.858 2.034 -0.107 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 3.914 1.090 0.025 0.00 0.00 +0.221 A ATOM 9 N LIG 1 2.608 1.315 -0.209 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 4.216 -0.209 0.422 0.00 0.00 -0.284 N ATOM 11 H LIG 1 3.360 -0.744 0.463 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 5.396 -0.875 0.765 0.00 0.00 +0.034 A ATOM 13 C LIG 1 5.318 -2.233 1.126 0.00 0.00 +0.027 A ATOM 14 C LIG 1 6.457 -2.964 1.479 0.00 0.00 +0.047 A ATOM 15 C LIG 1 7.695 -2.338 1.473 0.00 0.00 +0.117 A ATOM 16 C LIG 1 7.805 -1.001 1.121 0.00 0.00 +0.047 A ATOM 17 C LIG 1 6.660 -0.277 0.768 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 8.834 -3.006 1.809 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 8.602 -3.925 2.023 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 -2.566 0.350 -1.074 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -2.687 1.722 -0.833 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -1.541 2.524 -0.763 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.256 1.978 -0.919 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -0.157 0.612 -1.207 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -1.297 -0.197 -1.280 0.00 0.00 +0.015 A BRANCH 20 27 ATOM 26 O LIG 1 -3.702 -1.512 -1.915 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -3.755 -0.547 -1.162 0.00 0.00 +0.248 C ATOM 28 N LIG 1 -4.805 -0.203 -0.338 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -4.679 0.549 0.332 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -6.061 -0.832 -0.222 0.00 0.00 +0.076 A ATOM 31 C LIG 1 -6.936 -0.321 0.749 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -8.203 -0.868 0.944 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -8.609 -1.943 0.155 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.751 -2.459 -0.817 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -6.480 -1.906 -1.006 0.00 0.00 +0.027 A BRANCH 31 36 ATOM 36 O LIG 1 -6.512 0.741 1.511 0.00 0.00 -0.505 OA ATOM 37 H LIG 1 -7.217 0.956 2.145 0.00 0.00 +0.292 HD ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 8