REMARK Name = BDB049524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.352 -1.993 1.131 0.00 0.00 -0.286 OA ATOM 2 C LIG 1 3.406 -0.901 0.583 0.00 0.00 +0.204 A ATOM 3 C LIG 1 2.251 -0.247 -0.072 0.00 0.00 +0.110 A ATOM 4 C LIG 1 2.455 1.011 -0.644 0.00 0.00 +0.147 A ATOM 5 C LIG 1 1.406 1.685 -1.282 0.00 0.00 +0.096 A ATOM 6 C LIG 1 0.142 1.103 -1.347 0.00 0.00 +0.166 A ATOM 7 C LIG 1 -0.082 -0.147 -0.763 0.00 0.00 +0.207 A ATOM 8 O LIG 1 3.657 1.680 -0.641 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 4.736 1.079 -0.046 0.00 0.00 +0.143 A ATOM 10 C LIG 1 5.937 1.792 -0.075 0.00 0.00 +0.096 A ATOM 11 C LIG 1 7.077 1.242 0.512 0.00 0.00 +0.162 A ATOM 12 C LIG 1 7.021 -0.011 1.124 0.00 0.00 +0.159 A ATOM 13 C LIG 1 5.826 -0.725 1.155 0.00 0.00 +0.064 A ATOM 14 C LIG 1 0.978 -0.825 -0.142 0.00 0.00 +0.177 A ATOM 15 C LIG 1 4.684 -0.171 0.565 0.00 0.00 +0.068 A ENDROOT BRANCH 6 16 ATOM 16 O LIG 1 -0.871 1.758 -1.993 0.00 0.00 -0.503 OA ATOM 17 H LIG 1 -0.484 2.477 -2.524 0.00 0.00 +0.292 HD ENDBRANCH 6 16 BRANCH 11 18 ATOM 18 O LIG 1 8.260 1.924 0.494 0.00 0.00 -0.503 OA ATOM 19 H LIG 1 8.145 2.769 0.033 0.00 0.00 +0.292 HD ENDBRANCH 11 18 BRANCH 12 20 ATOM 20 O LIG 1 8.149 -0.530 1.693 0.00 0.00 -0.503 OA ATOM 21 H LIG 1 7.947 -1.402 2.069 0.00 0.00 +0.292 HD ENDBRANCH 12 20 BRANCH 14 22 ATOM 22 O LIG 1 0.723 -2.057 0.397 0.00 0.00 -0.503 OA ATOM 23 H LIG 1 -0.219 -2.253 0.236 0.00 0.00 +0.292 HD ENDBRANCH 14 22 BRANCH 7 24 ATOM 24 O LIG 1 -1.275 -0.825 -0.819 0.00 0.00 -0.453 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.399 -0.071 -0.344 0.00 0.00 +0.340 C ATOM 26 C LIG 1 -3.392 0.148 -1.519 0.00 0.00 +0.214 C ATOM 27 C LIG 1 -4.528 -0.889 -1.510 0.00 0.00 +0.180 C ATOM 28 C LIG 1 -5.220 -1.015 -0.136 0.00 0.00 +0.177 C ATOM 29 C LIG 1 -4.328 -0.454 0.986 0.00 0.00 +0.179 C ATOM 30 O LIG 1 -2.971 -0.825 0.743 0.00 0.00 -0.331 OA BRANCH 26 31 ATOM 31 O LIG 1 -3.945 1.473 -1.441 0.00 0.00 -0.383 OA ATOM 32 H LIG 1 -3.221 2.079 -1.690 0.00 0.00 +0.210 HD ENDBRANCH 26 31 BRANCH 27 33 ATOM 33 O LIG 1 -4.002 -2.169 -1.910 0.00 0.00 -0.386 OA ATOM 34 H LIG 1 -3.365 -2.459 -1.232 0.00 0.00 +0.210 HD ENDBRANCH 27 33 BRANCH 28 35 ATOM 35 O LIG 1 -6.486 -0.350 -0.132 0.00 0.00 -0.386 OA ATOM 36 H LIG 1 -6.877 -0.513 0.752 0.00 0.00 +0.210 HD ENDBRANCH 28 35 BRANCH 29 37 ATOM 37 C LIG 1 -4.766 -0.999 2.351 0.00 0.00 +0.190 C BRANCH 37 38 ATOM 38 O LIG 1 -6.102 -0.605 2.653 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -6.061 0.307 2.995 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 11