REMARK Name = BDB034487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.022 1.248 0.494 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -1.111 0.865 -0.288 0.00 0.00 -0.282 N ATOM 3 O LIG 1 0.050 2.299 1.125 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 4 C LIG 1 4.582 2.682 -1.247 0.00 0.00 +0.086 C ATOM 5 C LIG 1 5.305 1.425 -0.934 0.00 0.00 +0.112 A ATOM 6 N LIG 1 4.778 0.303 -0.308 0.00 0.00 -0.292 N ATOM 7 C LIG 1 5.814 -0.599 -0.188 0.00 0.00 +0.106 A ATOM 8 C LIG 1 5.636 -1.874 0.439 0.00 0.00 +0.142 A ATOM 9 N LIG 1 4.465 -2.203 0.905 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 3.385 -1.305 0.781 0.00 0.00 +0.090 A ATOM 11 C LIG 1 2.152 -1.713 1.302 0.00 0.00 +0.030 A ATOM 12 C LIG 1 1.033 -0.886 1.216 0.00 0.00 +0.015 A ATOM 13 C LIG 1 1.148 0.353 0.584 0.00 0.00 +0.039 A ATOM 14 C LIG 1 2.376 0.798 0.079 0.00 0.00 +0.041 A ATOM 15 C LIG 1 6.901 -0.005 -0.778 0.00 0.00 +0.142 A ATOM 16 C LIG 1 3.493 -0.034 0.175 0.00 0.00 +0.074 A ATOM 17 N LIG 1 6.582 1.242 -1.228 0.00 0.00 -0.240 NA BRANCH 8 18 ATOM 18 N LIG 1 6.647 -2.779 0.597 0.00 0.00 -0.341 N ATOM 19 H LIG 1 6.401 -3.494 1.273 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 7.565 -2.385 0.755 0.00 0.00 +0.144 HD ENDBRANCH 8 18 ENDBRANCH 1 13 BRANCH 2 21 ATOM 21 C LIG 1 -2.294 1.766 -0.321 0.00 0.00 +0.141 C ATOM 22 C LIG 1 -1.968 3.096 -1.014 0.00 0.00 +0.036 C BRANCH 21 23 ATOM 23 C LIG 1 -2.968 1.934 1.048 0.00 0.00 +0.149 A ATOM 24 N LIG 1 -3.613 3.092 1.308 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 -4.222 3.193 2.504 0.00 0.00 +0.114 A ATOM 26 C LIG 1 -4.242 2.182 3.433 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -3.596 1.028 3.066 0.00 0.00 +0.114 A ATOM 28 N LIG 1 -2.970 0.867 1.885 0.00 0.00 -0.238 NA ENDBRANCH 21 23 ENDBRANCH 2 21 BRANCH 2 29 ATOM 29 C LIG 1 -1.032 -0.164 -1.335 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 -2.198 -1.131 -1.371 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -2.816 -1.302 -2.567 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -3.856 -2.166 -2.622 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -4.321 -2.890 -1.536 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.677 -2.697 -0.312 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -2.602 -1.815 -0.228 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 -5.496 -3.803 -1.692 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -6.682 -3.135 -1.655 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -5.488 -4.482 -2.872 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -5.573 -4.753 -0.718 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 7