REMARK Name = BDB037470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.422 -2.746 -0.495 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.346 -1.877 0.105 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.137 -0.525 0.304 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.428 0.005 0.581 0.00 0.00 +0.091 A ATOM 5 N LIG 1 -3.341 -0.978 0.636 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.213 0.090 0.140 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.289 -1.021 0.175 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.636 -2.136 0.549 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.884 -2.252 -0.672 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.717 -2.808 -1.397 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.206 0.949 -1.118 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.299 0.516 -2.358 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.262 1.353 -3.474 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.295 2.620 -3.366 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.332 3.420 -4.436 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.817 3.069 -2.163 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.775 2.237 -1.045 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.208 -3.338 1.052 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.399 -4.372 1.542 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.981 -5.537 2.050 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.368 -5.665 2.091 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.178 -4.621 1.647 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.602 -3.454 1.138 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.628 -0.587 -0.233 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.103 -1.208 -0.881 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.345 0.330 0.497 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.882 0.898 1.482 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.738 0.605 0.049 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.644 1.129 0.980 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.972 1.402 0.613 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.377 1.156 -0.704 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.474 0.653 -1.641 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.156 0.380 -1.269 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.954 1.966 1.611 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.161 1.332 1.569 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.216 3.285 1.392 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.532 1.876 2.902 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.192 -3.460 -2.745 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.820 -3.887 -1.332 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.906 1.439 0.728 0.00 0.00 +0.145 C BRANCH 40 41 ATOM 41 N LIG 1 -2.795 2.117 -0.590 0.00 0.00 -0.273 N ATOM 42 H LIG 1 -1.995 2.759 -0.682 0.00 0.00 +0.159 HD BRANCH 41 43 ATOM 43 C LIG 1 -3.624 1.901 -1.617 0.00 0.00 +0.167 C ATOM 44 N LIG 1 -4.327 1.735 -2.520 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 BRANCH 40 45 ATOM 45 C LIG 1 -2.161 2.216 1.851 0.00 0.00 +0.113 C BRANCH 45 46 ATOM 46 N LIG 1 -2.594 3.580 2.225 0.00 0.00 -0.306 NA ATOM 47 C LIG 1 -2.191 4.619 1.274 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -4.028 3.663 2.518 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 40 45 ENDBRANCH 4 40 TORSDOF 11