REMARK Name = BDB053779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.452 -0.957 -1.534 0.00 0.00 +0.070 A ATOM 2 C LIG 1 1.127 -0.464 -1.464 0.00 0.00 +0.076 A ATOM 3 C LIG 1 0.033 -1.334 -1.550 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -1.138 -0.594 -1.224 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -0.768 0.737 -1.071 0.00 0.00 +0.041 A ATOM 6 C LIG 1 0.246 -2.678 -1.887 0.00 0.00 +0.030 A ATOM 7 C LIG 1 1.553 -3.075 -2.063 0.00 0.00 +0.112 A ATOM 8 N LIG 1 0.603 0.822 -1.290 0.00 0.00 -0.310 N ATOM 9 N LIG 1 2.615 -2.272 -1.880 0.00 0.00 -0.257 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.513 -1.078 -1.159 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -2.870 -1.833 -0.046 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -1.975 -2.159 1.070 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -2.559 -3.250 1.984 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -3.876 -2.922 2.550 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -4.374 -3.789 2.748 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -4.678 -2.077 1.648 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.284 -2.145 0.161 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -3.310 -0.787 -2.049 0.00 0.00 -0.270 OA ENDBRANCH 4 10 BRANCH 8 19 ATOM 19 C LIG 1 1.316 2.032 -1.497 0.00 0.00 +0.047 A ATOM 20 C LIG 1 1.333 3.026 -0.511 0.00 0.00 +0.026 A ATOM 21 C LIG 1 2.036 4.209 -0.741 0.00 0.00 +0.002 A ATOM 22 C LIG 1 2.710 4.401 -1.949 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.687 3.411 -2.934 0.00 0.00 +0.002 A ATOM 24 C LIG 1 1.991 2.223 -2.712 0.00 0.00 +0.026 A ENDBRANCH 8 19 BRANCH 1 25 ATOM 25 C LIG 1 3.725 -0.224 -1.172 0.00 0.00 +0.093 C BRANCH 25 28 ATOM 26 C LIG 1 6.020 -2.138 -0.646 0.00 0.00 +0.047 C ATOM 27 C LIG 1 5.286 -1.446 0.469 0.00 0.00 -0.012 A ATOM 28 C LIG 1 4.221 -0.550 0.228 0.00 0.00 -0.036 A ATOM 29 C LIG 1 3.578 0.060 1.328 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.976 -0.206 2.638 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.026 -1.087 2.871 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.668 -1.695 1.794 0.00 0.00 +0.127 A ATOM 33 F LIG 1 6.681 -2.537 2.053 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 5 34 ATOM 34 C LIG 1 -1.695 1.916 -0.895 0.00 0.00 +0.090 C BRANCH 34 35 ATOM 35 C LIG 1 -2.475 1.911 0.411 0.00 0.00 -0.036 A ATOM 36 C LIG 1 -3.860 2.193 0.451 0.00 0.00 -0.012 A ATOM 37 C LIG 1 -4.659 2.470 -0.793 0.00 0.00 +0.047 C ATOM 38 C LIG 1 -4.517 2.199 1.690 0.00 0.00 +0.127 A ATOM 39 F LIG 1 -5.833 2.455 1.750 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -3.840 1.953 2.879 0.00 0.00 +0.038 A ATOM 41 C LIG 1 -2.475 1.693 2.850 0.00 0.00 +0.003 A ATOM 42 C LIG 1 -1.799 1.682 1.628 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 6