REMARK Name = BDB025196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.914 -0.004 -0.502 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.772 0.730 -0.134 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.942 2.126 0.323 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.942 3.096 -0.865 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.929 2.503 1.398 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.518 2.336 0.884 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.327 0.989 0.246 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.015 0.478 0.109 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.170 1.046 0.498 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.125 0.198 0.189 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.585 -0.914 -0.441 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.789 -0.753 -0.482 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.834 -1.534 -0.969 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.134 -1.020 -0.841 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.418 0.221 -0.245 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.958 -1.187 -0.822 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.293 -2.056 -1.014 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.917 -2.972 0.057 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.108 -3.786 -0.470 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.927 -4.146 -1.947 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.843 -2.903 -2.836 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.288 -1.669 -2.118 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.289 -5.028 0.371 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.994 -6.171 0.070 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.826 -4.749 1.574 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.877 -5.621 2.023 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.249 0.058 -0.818 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.054 0.755 -0.461 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.454 0.308 0.435 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.051 -0.499 0.335 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.160 1.428 0.938 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -4.490 1.230 1.365 0.00 0.00 +0.051 A ATOM 33 C LIG 1 -5.201 2.328 1.865 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -4.655 3.600 1.958 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.692 4.393 2.496 0.00 0.00 +0.142 A ATOM 36 N LIG 1 -6.807 3.694 2.731 0.00 0.00 -0.181 NA ATOM 37 C LIG 1 -3.332 3.804 1.541 0.00 0.00 +0.013 A ATOM 38 N LIG 1 -6.478 2.448 2.349 0.00 0.00 -0.277 N ATOM 39 H LIG 1 -7.176 1.720 2.439 0.00 0.00 +0.189 HD ATOM 40 C LIG 1 -2.605 2.712 1.039 0.00 0.00 +0.024 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6