REMARK Name = BDB040154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.320 -0.027 0.034 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.709 0.887 0.259 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.736 2.103 0.275 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.920 0.096 0.518 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.200 0.542 0.791 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.198 -0.418 1.004 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.871 -1.795 0.926 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.562 -2.233 0.648 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.594 -1.254 0.445 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.140 -1.398 0.129 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.949 -0.330 -0.787 0.00 0.00 -0.036 A ATOM 12 C LIG 1 2.622 -0.662 -0.463 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.649 0.323 -0.287 0.00 0.00 +0.129 A ATOM 14 N LIG 1 1.960 1.623 -0.413 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 3.216 1.995 -0.752 0.00 0.00 +0.047 A ATOM 16 C LIG 1 4.211 1.040 -0.940 0.00 0.00 +0.028 A BRANCH 11 17 ATOM 17 C LIG 1 5.108 -1.439 -0.940 0.00 0.00 +0.003 C ATOM 18 C LIG 1 4.682 -2.781 -1.644 0.00 0.00 +0.012 C ATOM 19 C LIG 1 6.037 -2.786 -2.371 0.00 0.00 +0.002 C ATOM 20 C LIG 1 6.094 -1.265 -2.155 0.00 0.00 +0.012 C BRANCH 17 21 ATOM 21 C LIG 1 5.775 -1.697 0.435 0.00 0.00 +0.088 C BRANCH 21 24 ATOM 22 C LIG 1 4.871 0.036 2.881 0.00 0.00 +0.151 C ATOM 23 N LIG 1 6.031 0.252 2.059 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.460 -0.494 0.991 0.00 0.00 +0.134 A ATOM 25 N LIG 1 7.575 0.042 0.532 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 7.864 1.151 1.288 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 6.929 1.264 2.200 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 BRANCH 15 28 ATOM 28 C LIG 1 3.526 3.466 -0.896 0.00 0.00 +0.038 C ATOM 29 C LIG 1 2.508 4.401 -1.508 0.00 0.00 +0.010 C ATOM 30 C LIG 1 3.750 4.054 -2.271 0.00 0.00 +0.010 C ENDBRANCH 15 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 -2.218 -3.694 0.557 0.00 0.00 +0.418 C ATOM 32 F LIG 1 -3.239 -4.529 0.884 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.182 -4.026 1.378 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -1.819 -4.050 -0.695 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 -5.623 0.006 1.287 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 -6.471 -0.270 0.126 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 -6.023 0.136 -0.697 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -7.859 0.179 0.330 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -8.569 0.116 -1.057 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -9.131 1.523 -0.759 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -7.945 1.727 0.206 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -8.598 -0.514 1.460 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9