REMARK Name = BDB025239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.510 1.002 -0.031 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.575 0.114 0.531 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.036 -1.153 1.152 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.791 -0.889 2.467 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.925 -2.168 1.461 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.888 -2.179 0.363 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.304 -0.799 0.286 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.922 -0.587 0.093 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.083 -1.510 -0.028 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.198 -0.840 -0.208 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.946 0.524 -0.175 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.416 0.700 -0.006 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.238 1.827 0.075 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.611 1.608 0.257 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.161 0.322 0.359 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.258 2.053 -0.610 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.913 1.618 -0.253 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.977 1.567 0.853 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.874 2.809 0.838 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.284 3.271 -0.573 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.983 2.224 -1.648 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.517 1.778 -1.661 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.609 4.585 -0.942 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.475 4.893 -0.609 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.370 5.379 -1.726 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.252 5.022 -1.941 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.783 1.399 -0.492 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.795 0.547 0.089 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.442 -1.334 -0.436 0.00 0.00 -0.282 N ATOM 30 H LIG 1 -3.095 -0.703 -0.879 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.875 -2.618 -0.337 0.00 0.00 +0.077 A ATOM 32 C LIG 1 -4.032 -3.065 -0.942 0.00 0.00 +0.054 A ATOM 33 C LIG 1 -5.033 -2.398 -1.804 0.00 0.00 +0.067 C ATOM 34 N LIG 1 -4.130 -4.387 -0.612 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -4.844 -5.051 -0.892 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -3.155 -4.822 0.191 0.00 0.00 -0.177 NA ATOM 37 C LIG 1 -2.371 -3.746 0.371 0.00 0.00 +0.081 A ATOM 38 C LIG 1 -1.191 -3.870 1.262 0.00 0.00 +0.069 C ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6