REMARK Name = BDB007030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.462 -0.053 1.429 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.939 -1.012 0.550 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.289 -1.362 0.376 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.425 -2.353 -0.589 0.00 0.00 +0.070 A ATOM 5 N LIG 1 3.595 -2.900 -0.977 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.691 -2.406 -0.356 0.00 0.00 +0.115 A ATOM 7 C LIG 1 4.666 -1.411 0.628 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.079 -2.786 -1.127 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.021 -2.674 -2.652 0.00 0.00 +0.019 C ATOM 10 C LIG 1 0.757 -4.213 -0.675 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.422 -0.880 1.001 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.143 -1.756 -0.446 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.173 0.601 2.196 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.059 0.181 1.441 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.698 4.601 0.654 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.366 3.268 0.991 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.830 3.447 0.954 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.090 3.804 0.034 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.511 2.152 1.150 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.021 1.038 0.177 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.536 0.839 0.200 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -0.890 2.164 0.007 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.828 -0.282 0.387 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -5.279 -0.183 0.133 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -5.573 0.157 -1.279 0.00 0.00 +0.112 C ATOM 26 C LIG 1 -6.964 -0.328 -1.716 0.00 0.00 +0.175 C ATOM 27 O LIG 1 -7.083 -1.756 -1.679 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -6.279 -2.361 -0.657 0.00 0.00 +0.175 C ATOM 29 C LIG 1 -5.990 -1.422 0.524 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 5.943 -0.911 1.253 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 6.389 0.427 0.715 0.00 0.00 -0.008 A ATOM 32 C LIG 1 6.181 1.596 1.458 0.00 0.00 +0.130 A ATOM 33 F LIG 1 5.601 1.525 2.664 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.566 2.841 0.976 0.00 0.00 +0.077 A ATOM 35 C LIG 1 7.167 2.920 -0.271 0.00 0.00 +0.126 A ATOM 36 F LIG 1 7.543 4.114 -0.748 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.386 1.779 -1.037 0.00 0.00 +0.039 A ATOM 38 C LIG 1 6.997 0.531 -0.546 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6