REMARK Name = BDB025102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.851 1.357 -0.371 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.997 0.254 -0.201 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.593 -1.080 -0.430 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.553 -1.459 0.710 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.582 -2.225 -0.597 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.356 -1.752 -1.347 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.742 -0.643 -0.542 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.349 -0.541 -0.346 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.351 -1.363 -0.803 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.774 -0.858 -0.357 0.00 0.00 +0.197 A ATOM 11 N LIG 1 -0.543 0.284 0.387 0.00 0.00 -0.309 N ATOM 12 C LIG 1 0.822 0.503 0.403 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.631 1.484 0.982 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.014 1.380 0.775 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.582 0.349 0.012 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.060 1.253 -0.569 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.537 1.150 1.019 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.462 1.830 -0.006 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.451 2.805 0.655 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.985 2.316 2.008 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.778 0.819 2.215 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.296 0.452 2.166 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.817 4.169 0.826 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.639 4.403 1.036 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.717 5.166 0.756 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.189 5.982 0.886 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.075 3.685 -0.629 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.223 2.568 -0.372 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.012 -1.349 -0.574 0.00 0.00 -0.311 N ATOM 30 H LIG 1 -2.779 -1.123 0.044 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.125 -2.666 -1.181 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 C LIG 1 -3.589 -3.003 -1.346 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -4.234 -3.858 -0.441 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.593 -4.145 -0.587 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.319 -3.578 -1.634 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.690 -2.718 -2.532 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.332 -2.429 -2.388 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7