REMARK Name = BDB025254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.198 1.575 -0.970 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.474 0.437 -0.570 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.121 -0.899 -0.592 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.196 -1.018 0.504 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.163 -2.088 -0.419 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.870 -1.847 -1.162 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.247 -0.609 -0.588 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.858 -0.517 -0.355 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.111 -1.461 -0.556 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.253 -0.929 -0.181 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.052 0.383 0.230 0.00 0.00 -0.309 N ATOM 12 C LIG 1 0.304 0.651 0.146 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.087 1.770 0.440 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.465 1.674 0.201 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.060 0.513 -0.312 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.770 2.722 -1.037 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.075 1.330 0.673 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.164 2.591 -0.212 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.438 3.874 0.577 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.449 3.693 1.712 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.111 2.526 2.655 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.953 1.652 2.168 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.855 3.610 1.153 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.641 4.537 1.062 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.188 2.392 0.683 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.097 2.526 0.335 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.251 2.388 -1.785 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.479 1.271 -1.341 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.477 -1.516 -0.152 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.245 -1.063 0.323 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.833 -2.803 -0.618 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -4.117 -3.289 -0.331 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.499 -4.554 -0.776 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -5.869 -5.078 -0.468 0.00 0.00 +0.065 C ATOM 35 N LIG 1 -3.678 -5.353 -1.488 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -2.446 -4.875 -1.760 0.00 0.00 +0.113 A ATOM 37 C LIG 1 -1.988 -3.631 -1.354 0.00 0.00 +0.043 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6