REMARK Name = BDB021307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.732 0.343 -0.305 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.280 1.300 0.651 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.033 1.718 0.546 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.228 2.684 1.505 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.032 2.765 2.181 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.917 1.207 -0.422 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.493 0.335 -1.296 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.893 1.899 1.655 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.180 -0.078 -1.209 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 4.731 -1.282 -0.384 0.00 0.00 +0.037 A ATOM 11 C LIG 1 3.990 -1.234 0.796 0.00 0.00 +0.131 A ATOM 12 F LIG 1 4.507 -1.720 1.934 0.00 0.00 -0.205 F ATOM 13 C LIG 1 2.697 -0.708 0.826 0.00 0.00 +0.047 A ATOM 14 C LIG 1 2.102 -0.219 -0.344 0.00 0.00 -0.007 A ATOM 15 C LIG 1 2.844 -0.256 -1.532 0.00 0.00 +0.047 A ATOM 16 C LIG 1 4.136 -0.784 -1.541 0.00 0.00 +0.131 A ATOM 17 F LIG 1 4.809 -0.803 -2.701 0.00 0.00 -0.205 F BRANCH 10 18 ATOM 18 C LIG 1 6.128 -1.841 -0.403 0.00 0.00 +0.124 C BRANCH 18 20 ATOM 19 C LIG 1 8.390 -1.637 0.392 0.00 0.00 +0.104 C ATOM 20 N LIG 1 7.140 -0.918 0.141 0.00 0.00 -0.304 NA ATOM 21 C LIG 1 7.389 0.210 -0.759 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 10 18 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 0.280 3.623 3.284 0.00 0.00 +0.121 C ATOM 23 N LIG 1 0.492 4.329 4.181 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.229 1.620 -0.477 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.639 1.266 -1.340 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.128 1.371 0.648 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.453 0.854 0.167 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.612 -0.430 -0.349 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.610 -1.498 -0.594 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -5.557 -2.669 -0.859 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -6.834 -2.150 -1.294 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -6.849 -0.870 -0.804 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.973 -0.070 -0.776 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.840 1.217 -0.255 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.595 1.664 0.208 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -6.508 2.909 0.700 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 7