REMARK Name = BDB025721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.253 -0.763 -0.010 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.662 0.517 0.101 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.727 0.666 0.037 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.573 -0.447 -0.134 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.960 -1.706 -0.242 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.710 -2.809 -0.398 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.423 -1.871 -0.186 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.579 -3.825 1.573 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.054 -2.947 0.429 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.176 -2.436 -0.404 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.779 -3.491 -1.222 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.772 -1.283 -1.254 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.518 -0.041 -0.750 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.242 -1.025 -1.319 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.666 -0.861 0.035 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.199 -1.802 1.049 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.034 -0.289 -0.193 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.848 -0.982 -1.066 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.193 -0.850 -1.141 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.786 0.015 -0.303 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.087 0.738 0.584 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.744 0.573 0.618 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.153 0.184 -0.381 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.860 0.791 0.750 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.970 -0.152 1.243 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.938 -0.491 0.236 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.401 -0.481 -1.097 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.901 -0.805 -1.161 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.568 1.581 0.291 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.530 1.252 0.304 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.304 2.927 0.402 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -0.206 3.461 0.304 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.501 3.790 0.627 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -2.473 5.106 0.138 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -3.571 5.948 0.323 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -4.688 5.478 1.004 0.00 0.00 +0.123 A ATOM 37 F LIG 1 -5.741 6.285 1.183 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.726 4.183 1.510 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -3.630 3.335 1.328 0.00 0.00 +0.016 A ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 5