REMARK Name = BDB060542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.736 -3.467 -0.533 0.00 0.00 +0.161 A ATOM 2 N LIG 1 2.101 -4.566 -0.029 0.00 0.00 -0.342 N ATOM 3 H LIG 1 2.439 -5.514 -0.129 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.969 -4.137 0.611 0.00 0.00 +0.112 A ATOM 5 C LIG 1 0.965 -2.765 0.459 0.00 0.00 +0.089 A ATOM 6 N LIG 1 2.071 -2.360 -0.259 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.744 -2.386 -1.839 0.00 0.00 +0.082 A ATOM 8 C LIG 1 4.076 -3.524 -1.324 0.00 0.00 +0.149 A ATOM 9 N LIG 1 4.726 -4.666 -1.584 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 5.812 -4.245 -2.268 0.00 0.00 -0.282 N ATOM 11 H LIG 1 6.480 -4.939 -2.588 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 5.867 -2.892 -2.440 0.00 0.00 +0.129 A BRANCH 7 15 ATOM 13 O LIG 1 5.977 0.034 -2.896 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 4.951 0.033 -2.224 0.00 0.00 +0.248 C ATOM 15 N LIG 1 4.311 -1.077 -1.720 0.00 0.00 -0.278 N ATOM 16 H LIG 1 3.415 -0.986 -1.245 0.00 0.00 +0.155 HD BRANCH 14 17 ATOM 17 C LIG 1 4.284 1.335 -1.927 0.00 0.00 +0.038 A ATOM 18 C LIG 1 4.450 2.386 -2.837 0.00 0.00 +0.033 A ATOM 19 C LIG 1 3.837 3.614 -2.596 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 4.032 4.902 -3.721 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 3.066 3.809 -1.451 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.911 2.771 -0.533 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.522 1.536 -0.765 0.00 0.00 +0.013 A ENDBRANCH 14 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 5 24 ATOM 24 C LIG 1 -0.039 -1.836 0.955 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -0.079 -0.530 0.447 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -1.026 0.390 0.908 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -1.959 0.022 1.887 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -1.919 -1.281 2.399 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -0.969 -2.200 1.938 0.00 0.00 +0.010 A BRANCH 27 30 ATOM 30 C LIG 1 -2.976 1.024 2.394 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -3.832 1.586 1.336 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.618 2.729 1.824 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -6.071 2.386 2.144 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -6.799 1.846 0.914 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -5.854 1.129 -0.049 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -4.649 0.545 0.688 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 5 24 TORSDOF 6