REMARK Name = BDB009449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.611 -2.103 -2.277 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 4.016 -1.175 -1.582 0.00 0.00 +0.247 C ATOM 3 N LIG 1 3.188 -0.208 -1.019 0.00 0.00 -0.295 N ATOM 4 C LIG 1 1.744 -0.295 -1.256 0.00 0.00 +0.127 C ATOM 5 C LIG 1 0.959 -0.309 0.062 0.00 0.00 +0.127 C ATOM 6 N LIG 1 1.284 0.836 0.928 0.00 0.00 -0.294 N ATOM 7 C LIG 1 0.457 1.319 1.936 0.00 0.00 +0.249 C ATOM 8 O LIG 1 0.644 2.388 2.513 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.482 1.603 0.580 0.00 0.00 +0.127 C ATOM 10 C LIG 1 3.615 0.714 0.048 0.00 0.00 +0.127 C ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 5.467 -1.108 -1.312 0.00 0.00 +0.039 A ATOM 12 C LIG 1 6.216 -0.024 -1.792 0.00 0.00 +0.043 A ATOM 13 C LIG 1 7.590 -0.010 -1.522 0.00 0.00 +0.089 A ATOM 14 C LIG 1 8.164 -1.065 -0.819 0.00 0.00 +0.066 A ATOM 15 N LIG 1 9.494 -0.734 -0.743 0.00 0.00 -0.344 N ATOM 16 H LIG 1 10.219 -1.282 -0.303 0.00 0.00 +0.167 HD ATOM 17 C LIG 1 9.667 0.466 -1.374 0.00 0.00 +0.197 A ATOM 18 C LIG 1 7.442 -2.168 -0.356 0.00 0.00 +0.028 A ATOM 19 N LIG 1 8.536 0.929 -1.853 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 6.069 -2.170 -0.625 0.00 0.00 +0.015 A ENDBRANCH 2 11 BRANCH 7 21 ATOM 21 C LIG 1 -0.730 0.538 2.321 0.00 0.00 +0.072 A ATOM 22 C LIG 1 -0.598 -0.720 2.898 0.00 0.00 +0.135 A ATOM 23 F LIG 1 0.609 -1.268 3.096 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -1.727 -1.433 3.289 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -2.997 -0.880 3.108 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -3.149 0.391 2.528 0.00 0.00 -0.041 A ATOM 27 C LIG 1 -1.999 1.106 2.156 0.00 0.00 +0.020 A BRANCH 26 28 ATOM 28 C LIG 1 -4.524 0.998 2.358 0.00 0.00 +0.092 C BRANCH 28 29 ATOM 29 C LIG 1 -4.820 1.434 0.925 0.00 0.00 +0.069 A ATOM 30 C LIG 1 -5.388 0.449 -0.048 0.00 0.00 -0.016 A ATOM 31 C LIG 1 -5.656 -0.973 0.357 0.00 0.00 +0.037 C ATOM 32 C LIG 1 -5.941 -1.902 -0.828 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.869 -1.240 -1.838 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.261 0.059 -2.369 0.00 0.00 +0.041 C ATOM 35 C LIG 1 -5.647 0.904 -1.287 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -5.337 2.311 -1.644 0.00 0.00 +0.268 A ATOM 37 O LIG 1 -5.539 2.752 -2.771 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -4.811 3.080 -0.642 0.00 0.00 -0.243 N ATOM 39 H LIG 1 -4.593 4.046 -0.864 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -4.554 2.672 0.628 0.00 0.00 -0.175 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 21 TORSDOF 4