REMARK Name = BDB031007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.242 0.821 0.355 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.067 0.580 0.264 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 0.940 1.619 0.311 0.00 0.00 +0.156 A ATOM 4 C LIG 1 0.508 2.920 0.500 0.00 0.00 +0.116 A ATOM 5 C LIG 1 -0.865 3.063 0.561 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.743 2.047 0.479 0.00 0.00 -0.222 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.315 1.255 0.129 0.00 0.00 -0.282 N ATOM 8 C LIG 1 2.888 0.013 0.413 0.00 0.00 +0.076 A ATOM 9 C LIG 1 4.226 0.128 0.031 0.00 0.00 +0.101 A ATOM 10 C LIG 1 5.119 -0.945 0.208 0.00 0.00 +0.056 A ATOM 11 C LIG 1 4.606 -2.143 0.745 0.00 0.00 +0.064 A ATOM 12 C LIG 1 3.264 -2.236 1.136 0.00 0.00 +0.022 A ATOM 13 N LIG 1 4.462 1.361 -0.507 0.00 0.00 -0.235 NA ATOM 14 C LIG 1 2.386 -1.161 0.993 0.00 0.00 +0.030 A ATOM 15 C LIG 1 3.316 1.998 -0.452 0.00 0.00 +0.206 A BRANCH 10 16 ATOM 16 P LIG 1 6.804 -0.763 -0.256 0.00 0.00 +0.114 P ATOM 17 O LIG 1 7.782 -1.471 0.649 0.00 0.00 -0.317 OA ATOM 18 C LIG 1 6.987 -1.377 -1.939 0.00 0.00 +0.086 C ATOM 19 C LIG 1 7.334 0.947 -0.417 0.00 0.00 +0.086 C ENDBRANCH 10 16 BRANCH 11 20 ATOM 20 C LIG 1 5.418 -3.322 0.870 0.00 0.00 +0.100 C ATOM 21 N LIG 1 5.997 -4.325 0.941 0.00 0.00 -0.191 NA ENDBRANCH 11 20 ENDBRANCH 3 7 BRANCH 4 22 ATOM 22 C LIG 1 1.345 4.132 0.705 0.00 0.00 +0.422 C ATOM 23 F LIG 1 1.768 4.669 -0.470 0.00 0.00 -0.166 F ATOM 24 F LIG 1 0.690 5.136 1.350 0.00 0.00 -0.166 F ATOM 25 F LIG 1 2.460 3.895 1.444 0.00 0.00 -0.166 F ENDBRANCH 4 22 BRANCH 1 26 ATOM 26 N LIG 1 -2.062 -0.291 0.307 0.00 0.00 -0.309 N ATOM 27 H LIG 1 -1.520 -1.034 -0.120 0.00 0.00 +0.149 HD BRANCH 26 33 ATOM 28 C LIG 1 -6.463 -1.929 0.951 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -6.291 -0.846 -0.131 0.00 0.00 +0.014 C ATOM 30 N LIG 1 -5.795 0.408 0.465 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -5.880 1.164 -0.216 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 -4.391 0.336 0.901 0.00 0.00 +0.103 C ATOM 33 C LIG 1 -3.411 -0.098 -0.217 0.00 0.00 +0.087 C ATOM 34 C LIG 1 -3.892 -1.422 -0.829 0.00 0.00 +0.025 C ATOM 35 C LIG 1 -5.354 -1.321 -1.263 0.00 0.00 +0.023 C ATOM 36 C LIG 1 -7.680 -0.552 -0.728 0.00 0.00 +0.027 C ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 6