REMARK Name = BDB064788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.737 2.618 1.006 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -5.177 1.578 1.345 0.00 0.00 +0.249 C ATOM 3 N LIG 1 -3.812 1.470 1.577 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -3.100 0.193 1.724 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -1.576 0.342 1.904 0.00 0.00 +0.124 C ATOM 6 N LIG 1 -0.997 1.195 0.855 0.00 0.00 -0.327 N ATOM 7 C LIG 1 -1.790 2.372 0.436 0.00 0.00 +0.124 C ATOM 8 C LIG 1 -2.963 2.650 1.395 0.00 0.00 +0.127 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 0.334 1.089 0.472 0.00 0.00 +0.032 A ATOM 10 C LIG 1 0.809 1.695 -0.706 0.00 0.00 +0.051 A ATOM 11 C LIG 1 2.129 1.610 -1.146 0.00 0.00 +0.076 A ATOM 12 C LIG 1 3.052 0.876 -0.380 0.00 0.00 +0.042 A ATOM 13 C LIG 1 4.386 0.794 -0.847 0.00 0.00 +0.131 A ATOM 14 C LIG 1 4.735 1.445 -2.025 0.00 0.00 +0.066 A ATOM 15 C LIG 1 3.751 2.141 -2.700 0.00 0.00 +0.115 A ATOM 16 C LIG 1 2.604 0.258 0.803 0.00 0.00 +0.015 A ATOM 17 N LIG 1 2.471 2.231 -2.288 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 1.271 0.366 1.214 0.00 0.00 +0.024 A BRANCH 13 19 ATOM 19 O LIG 1 5.255 0.071 -0.067 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 6.564 -0.212 -0.569 0.00 0.00 +0.252 C BRANCH 20 21 ATOM 21 C LIG 1 7.556 0.877 -0.161 0.00 0.00 +0.188 C BRANCH 21 22 ATOM 22 N LIG 1 8.884 0.639 -0.712 0.00 0.00 -0.226 N ATOM 23 C LIG 1 9.154 1.007 -2.023 0.00 0.00 +0.267 A ATOM 24 O LIG 1 8.348 1.540 -2.782 0.00 0.00 -0.266 OA ATOM 25 C LIG 1 10.520 0.723 -2.504 0.00 0.00 +0.074 A ATOM 26 C LIG 1 11.399 0.085 -1.730 0.00 0.00 +0.035 A ATOM 27 C LIG 1 10.937 -0.327 -0.386 0.00 0.00 +0.092 A ATOM 28 N LIG 1 9.761 -0.054 0.091 0.00 0.00 -0.168 NA BRANCH 27 29 ATOM 29 C LIG 1 11.907 -1.076 0.463 0.00 0.00 +0.002 A ATOM 30 C LIG 1 11.891 -0.862 1.847 0.00 0.00 +0.010 A ATOM 31 C LIG 1 12.783 -1.546 2.675 0.00 0.00 +0.001 A ATOM 32 C LIG 1 13.686 -2.454 2.126 0.00 0.00 +0.000 A ATOM 33 C LIG 1 13.696 -2.686 0.751 0.00 0.00 +0.001 A ATOM 34 C LIG 1 12.806 -2.002 -0.082 0.00 0.00 +0.010 A ENDBRANCH 27 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 6 9 BRANCH 2 35 ATOM 35 C LIG 1 -6.014 0.372 1.438 0.00 0.00 +0.072 A ATOM 36 C LIG 1 -6.236 -0.256 2.658 0.00 0.00 +0.135 A ATOM 37 F LIG 1 -5.666 0.200 3.783 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -7.048 -1.383 2.727 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -7.661 -1.870 1.569 0.00 0.00 +0.007 A ATOM 40 C LIG 1 -7.482 -1.220 0.336 0.00 0.00 -0.041 A ATOM 41 C LIG 1 -6.642 -0.098 0.278 0.00 0.00 +0.020 A BRANCH 40 42 ATOM 42 C LIG 1 -8.146 -1.735 -0.922 0.00 0.00 +0.093 C BRANCH 42 43 ATOM 43 C LIG 1 -9.631 -2.026 -0.753 0.00 0.00 +0.074 A ATOM 44 C LIG 1 -10.611 -0.909 -0.721 0.00 0.00 +0.011 A ATOM 45 C LIG 1 -11.953 -1.246 -0.553 0.00 0.00 +0.050 A ATOM 46 C LIG 1 -12.939 -0.254 -0.507 0.00 0.00 +0.014 A ATOM 47 C LIG 1 -12.579 1.087 -0.627 0.00 0.00 +0.001 A ATOM 48 C LIG 1 -11.239 1.432 -0.795 0.00 0.00 +0.001 A ATOM 49 C LIG 1 -12.327 -2.664 -0.423 0.00 0.00 +0.272 A ATOM 50 O LIG 1 -13.495 -3.007 -0.279 0.00 0.00 -0.266 OA ATOM 51 N LIG 1 -11.295 -3.568 -0.474 0.00 0.00 -0.242 N ATOM 52 H LIG 1 -11.536 -4.551 -0.390 0.00 0.00 +0.192 HD ATOM 53 C LIG 1 -10.255 0.439 -0.844 0.00 0.00 +0.010 A ATOM 54 N LIG 1 -9.978 -3.274 -0.633 0.00 0.00 -0.175 NA ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 2 35 TORSDOF 9