REMARK Name = BDB043272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.623 1.563 0.744 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.827 1.392 0.600 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.433 2.033 1.097 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -1.387 0.287 -0.008 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.685 -0.617 -0.462 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C LIG 1 -2.936 0.266 -0.014 0.00 0.00 +0.162 C BRANCH 6 7 ATOM 7 N LIG 1 -3.518 -0.666 -1.004 0.00 0.00 -0.284 N ATOM 8 C LIG 1 -3.802 -0.132 -2.261 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -3.472 1.016 -2.574 0.00 0.00 -0.274 OA ATOM 10 C LIG 1 -4.576 -1.004 -3.265 0.00 0.00 +0.142 C ATOM 11 C LIG 1 -5.761 -1.720 -2.610 0.00 0.00 +0.063 C ATOM 12 C LIG 1 -5.491 -2.893 -1.693 0.00 0.00 -0.041 A ATOM 13 C LIG 1 -4.341 -3.032 -0.897 0.00 0.00 -0.027 A ATOM 14 C LIG 1 -4.224 -4.173 -0.072 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -5.233 -5.132 -0.002 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.380 -4.975 -0.763 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.509 -3.866 -1.597 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.170 -2.079 -0.918 0.00 0.00 +0.144 C BRANCH 10 19 ATOM 19 N LIG 1 -3.696 -1.854 -4.088 0.00 0.00 -0.320 NA ATOM 20 H LIG 1 -3.415 -2.687 -3.578 0.00 0.00 +0.119 HD ATOM 21 H LIG 1 -2.852 -1.332 -4.321 0.00 0.00 +0.119 HD ENDBRANCH 10 19 ENDBRANCH 6 7 BRANCH 6 22 ATOM 22 C LIG 1 -3.559 0.160 1.397 0.00 0.00 +0.032 C BRANCH 22 23 ATOM 23 C LIG 1 -3.113 -1.020 2.265 0.00 0.00 +0.002 C BRANCH 23 24 ATOM 24 C LIG 1 -3.494 -0.856 3.740 0.00 0.00 -0.003 C ATOM 25 C LIG 1 -4.997 -0.824 3.977 0.00 0.00 +0.004 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 6 22 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 26 ATOM 26 C LIG 1 1.110 0.784 2.011 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 O LIG 1 0.860 -0.620 1.885 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 0.507 -0.804 0.990 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 2.590 0.965 2.400 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 3.597 0.491 1.328 0.00 0.00 +0.080 C BRANCH 30 33 ATOM 31 N LIG 1 3.584 -1.676 0.206 0.00 0.00 -0.315 N ATOM 32 H LIG 1 3.317 -1.150 -0.615 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 3.785 -1.027 1.406 0.00 0.00 +0.216 C ATOM 34 O LIG 1 4.132 -1.607 2.432 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 3.793 -3.102 0.067 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 5.256 -3.448 -0.208 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 7.184 -3.294 -1.826 0.00 0.00 +0.004 C ATOM 38 C LIG 1 5.731 -2.932 -1.567 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 30 33 BRANCH 30 39 ATOM 39 C LIG 1 4.958 1.236 1.436 0.00 0.00 -0.005 C ATOM 40 C LIG 1 5.656 1.097 2.792 0.00 0.00 +0.008 C ATOM 41 C LIG 1 5.919 0.832 0.313 0.00 0.00 +0.008 C ENDBRANCH 30 39 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 1 42 ATOM 42 C LIG 1 0.987 3.063 0.773 0.00 0.00 +0.028 C BRANCH 42 43 ATOM 43 C LIG 1 0.755 3.813 -0.562 0.00 0.00 -0.009 C ATOM 44 C LIG 1 -0.736 4.026 -0.893 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -1.013 5.248 -1.774 0.00 0.00 +0.000 C ATOM 46 C LIG 1 0.157 5.562 -2.693 0.00 0.00 +0.000 C ATOM 47 C LIG 1 1.426 5.872 -1.899 0.00 0.00 +0.000 C ATOM 48 C LIG 1 1.488 5.164 -0.544 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 18