REMARK Name = BDB004749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.556 1.083 -1.874 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.174 1.684 -1.615 0.00 0.00 -0.024 A ATOM 3 C LIG 1 0.868 0.912 -1.064 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.132 1.465 -0.811 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.350 2.808 -1.114 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.326 3.587 -1.659 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.072 3.031 -1.907 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.107 0.607 -0.260 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.807 -0.350 -0.109 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.408 0.917 0.092 0.00 0.00 +0.251 C ATOM 11 O LIG 1 4.934 2.022 -0.009 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.236 -0.200 0.647 0.00 0.00 +0.072 A ATOM 13 C LIG 1 4.757 -1.500 0.816 0.00 0.00 +0.139 A ATOM 14 F LIG 1 3.498 -1.822 0.483 0.00 0.00 -0.205 F ATOM 15 C LIG 1 5.570 -2.506 1.338 0.00 0.00 +0.084 A ATOM 16 C LIG 1 6.888 -2.231 1.704 0.00 0.00 +0.123 A ATOM 17 C LIG 1 7.383 -0.937 1.541 0.00 0.00 +0.046 A ATOM 18 C LIG 1 6.562 0.071 1.016 0.00 0.00 +0.019 A BRANCH 16 19 ATOM 19 O LIG 1 7.577 -3.300 2.202 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 8.928 -3.074 2.589 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -2.072 0.620 -0.567 0.00 0.00 -0.320 N ATOM 22 H LIG 1 -1.734 1.241 0.167 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.464 0.493 -0.392 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.967 0.077 0.860 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.368 -0.010 0.984 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.888 -0.412 2.232 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.042 -0.722 3.314 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -3.666 -0.646 3.178 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.164 0.287 -0.067 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.581 0.644 -1.216 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.133 -0.252 1.959 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.271 0.750 -1.430 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.355 -0.542 2.507 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.775 -0.851 3.617 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.232 -0.311 1.490 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.903 -0.011 0.577 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -9.223 -0.365 1.675 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -1.442 -0.090 -2.903 0.00 0.00 +0.107 C BRANCH 38 40 ATOM 39 C LIG 1 -2.667 -1.689 -4.245 0.00 0.00 +0.101 C ATOM 40 N LIG 1 -2.705 -0.386 -3.602 0.00 0.00 -0.317 NA ATOM 41 H LIG 1 -3.460 -0.352 -2.908 0.00 0.00 +0.122 HD ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 9