REMARK Name = BDB025973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.631 -0.409 0.527 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.048 -1.525 1.141 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.821 -2.500 1.643 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.335 -1.685 1.237 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.210 -0.736 0.707 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.637 0.429 0.132 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.245 0.571 0.031 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.594 -0.903 0.732 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.286 -1.427 1.922 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.959 -2.822 1.735 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.046 -3.969 2.191 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.603 -3.010 0.418 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.253 -4.299 0.234 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.815 -2.553 -0.742 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.681 -3.477 -1.204 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.297 -1.104 -0.550 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 4.836 0.050 0.204 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.320 -0.440 1.343 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 2.977 -0.580 1.422 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.088 -0.254 0.418 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.722 0.237 -0.706 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.059 0.394 -0.835 0.00 0.00 -0.222 NA BRANCH 17 29 ATOM 23 C LIG 1 8.998 -1.142 0.970 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.448 0.268 1.168 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.904 1.177 0.153 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.175 1.152 -1.085 0.00 0.00 +0.133 C ATOM 27 C LIG 1 8.637 0.025 -2.005 0.00 0.00 +0.039 C ATOM 28 C LIG 1 6.644 1.180 -0.897 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.223 0.171 0.084 0.00 0.00 -0.295 N ATOM 30 C LIG 1 6.920 0.290 1.371 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.543 1.444 -0.252 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.496 1.240 0.035 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.272 2.664 -0.820 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.181 3.117 -1.144 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.494 3.502 -1.010 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.613 4.827 -0.408 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -4.721 5.561 -0.636 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -5.809 5.036 -1.498 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.822 5.688 -1.716 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.601 3.786 -2.027 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -6.340 3.440 -2.628 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -4.473 3.035 -1.802 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.494 5.312 0.468 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -2.325 4.476 1.528 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.778 6.532 1.006 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6