REMARK Name = BDB004831 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.038 0.507 2.355 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -0.257 0.305 1.839 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.173 -0.549 2.471 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.782 -1.221 3.628 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.503 -1.044 4.146 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.407 -0.192 3.514 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.446 -0.684 1.875 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.597 -0.134 1.042 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -3.521 -1.414 2.349 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -3.591 -2.019 3.412 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.722 -1.412 1.465 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -4.608 -1.404 0.068 0.00 0.00 +0.062 A ATOM 13 C LIG 1 -5.759 -1.400 -0.719 0.00 0.00 +0.163 A ATOM 14 O LIG 1 -5.571 -1.363 -2.077 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 -6.785 -1.045 -2.767 0.00 0.00 +0.270 C ATOM 16 C LIG 1 -7.953 -1.838 -2.203 0.00 0.00 +0.270 C ATOM 17 O LIG 1 -8.191 -1.479 -0.837 0.00 0.00 -0.485 OA ATOM 18 C LIG 1 -7.024 -1.444 -0.120 0.00 0.00 +0.162 A ATOM 19 C LIG 1 -7.141 -1.456 1.268 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -5.991 -1.447 2.060 0.00 0.00 +0.017 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 1.456 2.781 1.314 0.00 0.00 +0.033 C ATOM 22 C LIG 1 2.056 1.417 1.677 0.00 0.00 +0.099 C BRANCH 22 23 ATOM 23 N LIG 1 2.541 0.717 0.486 0.00 0.00 -0.322 N ATOM 24 H LIG 1 1.841 0.690 -0.246 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.786 1.096 -0.044 0.00 0.00 +0.130 A ATOM 26 C LIG 1 4.295 0.421 -1.174 0.00 0.00 +0.041 A ATOM 27 C LIG 1 5.540 0.860 -1.667 0.00 0.00 +0.088 A ATOM 28 C LIG 1 6.055 0.212 -2.810 0.00 0.00 +0.063 A ATOM 29 C LIG 1 5.359 -0.845 -3.429 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.147 -1.284 -2.923 0.00 0.00 +0.002 A ATOM 31 N LIG 1 6.202 1.863 -1.048 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 5.644 2.407 0.039 0.00 0.00 +0.223 A ATOM 33 C LIG 1 3.621 -0.656 -1.803 0.00 0.00 +0.013 A ATOM 34 N LIG 1 4.472 2.070 0.570 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 7.357 0.584 -3.449 0.00 0.00 +0.244 C ATOM 36 O LIG 1 7.778 -0.004 -4.439 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 8.081 1.604 -2.906 0.00 0.00 -0.325 N ATOM 38 H LIG 1 7.766 2.072 -2.061 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 8.977 1.837 -3.307 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 6