REMARK Name = BDB022735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.212 -1.972 -3.945 0.00 0.00 -0.325 N ATOM 2 H LIG 1 -0.355 -2.826 -4.023 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.470 -1.065 -3.118 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -1.771 -1.428 -2.699 0.00 0.00 -0.200 N ATOM 5 C LIG 1 -2.510 -0.610 -1.847 0.00 0.00 +0.163 A ATOM 6 C LIG 1 -3.707 -1.261 -1.614 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -3.601 -2.456 -2.358 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -2.022 0.572 -1.373 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -0.817 0.927 -1.733 0.00 0.00 +0.125 A ATOM 10 N LIG 1 -2.448 -2.572 -3.016 0.00 0.00 -0.171 NA ATOM 11 C LIG 1 0.020 0.105 -2.677 0.00 0.00 +0.087 A BRANCH 6 12 ATOM 12 C LIG 1 -4.830 -0.798 -0.738 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -6.189 -0.905 -1.432 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -4.845 -1.561 0.589 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -0.248 2.088 -1.244 0.00 0.00 -0.326 N ATOM 16 H LIG 1 0.758 2.152 -1.356 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -0.749 2.878 -0.125 0.00 0.00 +0.076 C ATOM 18 C LIG 1 -2.079 3.564 -0.421 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -2.492 4.395 0.786 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -2.548 3.599 1.969 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -1.300 2.994 2.296 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -0.821 2.083 1.175 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 1.633 -2.276 -3.832 0.00 0.00 +0.138 C BRANCH 23 26 ATOM 24 C LIG 1 2.758 -2.549 -0.189 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.536 -2.058 -1.480 0.00 0.00 +0.028 A ATOM 26 C LIG 1 1.955 -2.860 -2.477 0.00 0.00 -0.029 A ATOM 27 C LIG 1 1.618 -4.182 -2.167 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.858 -4.684 -0.889 0.00 0.00 +0.002 A ATOM 29 C LIG 1 2.422 -3.871 0.097 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 3.567 -1.845 2.087 0.00 0.00 +0.238 C ATOM 31 N LIG 1 3.300 -1.644 0.744 0.00 0.00 -0.284 N ATOM 32 H LIG 1 3.486 -0.704 0.393 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 3.372 -2.903 2.693 0.00 0.00 -0.273 OA BRANCH 30 36 ATOM 34 C LIG 1 3.374 1.489 1.562 0.00 0.00 +0.239 C ATOM 35 N LIG 1 3.460 0.696 2.672 0.00 0.00 -0.286 N ATOM 36 C LIG 1 4.190 -0.587 2.780 0.00 0.00 +0.164 C ATOM 37 C LIG 1 3.978 -0.436 4.300 0.00 0.00 +0.051 C ATOM 38 C LIG 1 3.684 1.046 4.066 0.00 0.00 +0.111 C ATOM 39 O LIG 1 3.582 1.069 0.425 0.00 0.00 -0.271 OA BRANCH 34 41 ATOM 40 C LIG 1 3.093 3.822 0.859 0.00 0.00 +0.013 C ATOM 41 C LIG 1 2.976 2.897 1.820 0.00 0.00 +0.060 C ENDBRANCH 34 41 ENDBRANCH 30 36 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 9