REMARK Name = BDB000310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.522 0.318 0.629 0.00 0.00 -0.256 N ATOM 2 C LIG 1 0.333 -0.434 0.839 0.00 0.00 +0.079 A ATOM 3 C LIG 1 0.411 -1.804 1.099 0.00 0.00 +0.144 A ATOM 4 C LIG 1 -0.748 -2.568 1.271 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -2.005 -1.974 1.189 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -2.118 -0.606 0.927 0.00 0.00 -0.011 A ATOM 7 O LIG 1 1.570 -2.518 1.173 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 2.780 -1.766 1.191 0.00 0.00 +0.208 C ATOM 9 C LIG 1 3.184 -1.680 2.677 0.00 0.00 +0.071 C ATOM 10 C LIG 1 -0.942 0.150 0.763 0.00 0.00 +0.036 A ATOM 11 C LIG 1 2.765 -0.298 0.678 0.00 0.00 +0.269 C ATOM 12 O LIG 1 3.809 0.303 0.408 0.00 0.00 -0.270 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 3.748 -2.591 0.326 0.00 0.00 +0.010 A ATOM 14 C LIG 1 3.417 -2.831 -1.026 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.264 -3.573 -1.847 0.00 0.00 +0.127 A ATOM 16 F LIG 1 3.920 -3.788 -3.124 0.00 0.00 -0.205 F ATOM 17 C LIG 1 5.453 -4.094 -1.365 0.00 0.00 +0.076 A ATOM 18 C LIG 1 5.789 -3.862 -0.041 0.00 0.00 +0.127 A ATOM 19 F LIG 1 6.935 -4.358 0.443 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.957 -3.123 0.803 0.00 0.00 +0.046 A ENDBRANCH 8 13 BRANCH 6 21 ATOM 21 C LIG 1 -3.434 0.037 0.822 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.192 0.044 -0.347 0.00 0.00 +0.056 A ATOM 23 N LIG 1 -5.397 0.657 -0.426 0.00 0.00 -0.219 NA ATOM 24 C LIG 1 -5.843 1.283 0.662 0.00 0.00 +0.214 A ATOM 25 N LIG 1 -5.209 1.323 1.832 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 -4.020 0.706 1.897 0.00 0.00 +0.129 A BRANCH 24 27 ATOM 27 N LIG 1 -7.074 1.897 0.579 0.00 0.00 -0.327 N ATOM 28 H LIG 1 -7.496 1.954 1.495 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -7.617 1.475 -0.161 0.00 0.00 +0.145 HD ENDBRANCH 24 27 BRANCH 26 30 ATOM 30 N LIG 1 -3.365 0.828 3.129 0.00 0.00 -0.343 N ATOM 31 H LIG 1 -4.002 1.296 3.768 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -3.053 -0.070 3.482 0.00 0.00 +0.144 HD ENDBRANCH 26 30 BRANCH 22 33 ATOM 33 C LIG 1 -3.714 -0.582 -1.636 0.00 0.00 +0.053 C ATOM 34 C LIG 1 -2.954 0.414 -2.499 0.00 0.00 +0.010 C ENDBRANCH 22 33 ENDBRANCH 6 21 BRANCH 1 35 ATOM 35 C LIG 1 1.471 1.698 0.147 0.00 0.00 +0.209 C BRANCH 35 38 ATOM 36 N LIG 1 0.998 3.014 -1.912 0.00 0.00 -0.314 N ATOM 37 H LIG 1 0.715 2.977 -2.885 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 1.150 1.772 -1.353 0.00 0.00 +0.231 C ATOM 39 O LIG 1 1.020 0.782 -2.073 0.00 0.00 -0.274 OA BRANCH 36 41 ATOM 40 C LIG 1 0.991 5.453 -2.164 0.00 0.00 +0.024 C ATOM 41 C LIG 1 0.923 4.278 -1.207 0.00 0.00 +0.101 C ENDBRANCH 36 41 ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 8