REMARK Name = BDB022903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.335 -0.523 -2.237 0.00 0.00 +0.216 A ATOM 2 N LIG 1 1.328 -0.662 -1.365 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 0.526 0.405 -1.164 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.596 0.241 -0.155 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.644 1.247 -0.345 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.073 2.608 -0.350 0.00 0.00 +0.078 C ATOM 7 C LIG 1 -0.189 2.804 -1.596 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -2.084 3.738 -0.153 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.742 0.976 -1.157 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -3.128 1.782 -2.010 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 0.722 1.622 -1.804 0.00 0.00 -0.005 A ATOM 12 C LIG 1 1.773 1.653 -2.690 0.00 0.00 +0.120 A ATOM 13 N LIG 1 2.588 0.606 -2.915 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.518 -0.337 -1.010 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.712 -0.847 0.435 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.524 -2.165 0.420 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -3.994 -3.200 -0.482 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -2.772 -3.818 0.025 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.843 -2.695 -1.851 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.998 -1.425 -1.957 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.364 0.176 1.359 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -3.721 0.539 2.554 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.292 1.477 3.416 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.514 2.064 3.098 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.166 1.711 1.919 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.597 0.772 1.056 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 3.125 -1.649 -2.426 0.00 0.00 -0.308 N ATOM 28 H LIG 1 2.959 -2.225 -1.605 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.544 -1.344 -2.570 0.00 0.00 +0.161 C BRANCH 29 32 ATOM 30 N LIG 1 5.995 -0.882 0.656 0.00 0.00 -0.269 N ATOM 31 N LIG 1 5.314 -1.631 -0.233 0.00 0.00 -0.174 NA ATOM 32 C LIG 1 5.257 -0.862 -1.333 0.00 0.00 +0.080 A ATOM 33 C LIG 1 5.900 0.381 -1.132 0.00 0.00 +0.046 A ATOM 34 C LIG 1 6.369 0.335 0.159 0.00 0.00 +0.109 A BRANCH 30 36 ATOM 35 C LIG 1 7.744 -1.540 2.273 0.00 0.00 +0.032 C ATOM 36 C LIG 1 6.247 -1.409 1.994 0.00 0.00 +0.101 C ATOM 37 C LIG 1 5.549 -0.572 3.064 0.00 0.00 +0.032 C ENDBRANCH 30 36 ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 6