REMARK Name = BDB006979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.347 0.762 0.029 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.488 -0.323 0.258 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.770 -0.503 -0.289 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.308 -1.714 0.127 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.573 -2.095 -0.297 0.00 0.00 +0.139 A ATOM 6 N LIG 1 4.316 -1.279 -1.138 0.00 0.00 -0.143 N ATOM 7 C LIG 1 3.768 -0.060 -1.556 0.00 0.00 +0.068 A ATOM 8 O LIG 1 5.474 -1.658 -1.505 0.00 0.00 -0.164 OA ATOM 9 C LIG 1 1.371 -2.463 1.040 0.00 0.00 +0.009 C ATOM 10 C LIG 1 1.976 -2.634 2.438 0.00 0.00 +0.017 C ATOM 11 C LIG 1 0.986 -3.825 0.453 0.00 0.00 +0.017 C ATOM 12 C LIG 1 2.486 0.335 -1.124 0.00 0.00 +0.049 A ATOM 13 C LIG 1 0.151 -1.506 1.075 0.00 0.00 +0.124 C ATOM 14 O LIG 1 -0.065 1.713 -0.705 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -1.710 0.746 0.740 0.00 0.00 +0.181 C BRANCH 15 22 ATOM 16 C LIG 1 -3.246 -2.431 -1.929 0.00 0.00 +0.025 C ATOM 17 C LIG 1 -3.859 -1.027 -1.918 0.00 0.00 +0.065 C ATOM 18 N LIG 1 -5.177 -1.029 -1.264 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 -5.646 -0.152 -1.483 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -5.076 -1.163 0.203 0.00 0.00 +0.109 C ATOM 21 C LIG 1 -3.819 -0.594 0.928 0.00 0.00 +0.158 C ATOM 22 N LIG 1 -2.636 -0.208 0.116 0.00 0.00 -0.280 NA ATOM 23 C LIG 1 -2.909 0.028 -1.300 0.00 0.00 +0.104 C BRANCH 21 24 ATOM 24 C LIG 1 -4.176 0.377 2.086 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -4.903 1.542 1.870 0.00 0.00 -0.306 N ATOM 26 C LIG 1 -5.093 2.176 0.580 0.00 0.00 +0.131 C ATOM 27 C LIG 1 -5.134 2.407 3.018 0.00 0.00 +0.131 C ATOM 28 O LIG 1 -3.780 0.089 3.225 0.00 0.00 -0.274 OA ENDBRANCH 21 24 ENDBRANCH 15 22 ENDBRANCH 1 15 BRANCH 7 29 ATOM 29 C LIG 1 4.601 0.820 -2.447 0.00 0.00 +0.095 C BRANCH 29 30 ATOM 30 C LIG 1 5.394 1.854 -1.685 0.00 0.00 -0.006 A ATOM 31 C LIG 1 4.891 3.148 -1.502 0.00 0.00 +0.130 A ATOM 32 F LIG 1 3.702 3.480 -2.024 0.00 0.00 -0.205 F ATOM 33 C LIG 1 5.598 4.106 -0.786 0.00 0.00 +0.077 A ATOM 34 C LIG 1 6.827 3.764 -0.240 0.00 0.00 +0.126 A ATOM 35 F LIG 1 7.517 4.679 0.453 0.00 0.00 -0.205 F ATOM 36 C LIG 1 7.353 2.486 -0.400 0.00 0.00 +0.039 A ATOM 37 C LIG 1 6.637 1.529 -1.120 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5