REMARK Name = BDB005158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.291 1.979 2.482 0.00 0.00 +0.138 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -1.341 2.065 1.288 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.099 1.605 1.727 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.939 2.500 2.043 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.716 3.877 1.905 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.522 4.346 1.474 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.544 3.445 1.168 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 -2.458 -0.161 1.001 0.00 0.00 +0.248 C ATOM 9 N LIG 1 -2.417 1.221 0.938 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.265 1.692 0.655 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -1.593 -0.908 1.440 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 -6.091 -2.002 -0.377 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -5.382 -2.537 0.699 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.201 -1.928 1.135 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -3.724 -0.772 0.504 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.423 -0.244 -0.587 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.604 -0.858 -1.016 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -7.756 -3.698 -0.332 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -7.254 -2.494 -0.899 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 3.199 1.855 1.341 0.00 0.00 -0.324 N ATOM 21 H LIG 1 2.989 2.574 0.653 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 3.212 0.607 0.677 0.00 0.00 +0.130 A ATOM 23 C LIG 1 4.021 0.437 -0.465 0.00 0.00 +0.044 A ATOM 24 C LIG 1 3.947 -0.814 -1.113 0.00 0.00 +0.088 A ATOM 25 C LIG 1 4.731 -0.997 -2.272 0.00 0.00 +0.066 A ATOM 26 C LIG 1 5.571 0.022 -2.756 0.00 0.00 +0.060 A ATOM 27 C LIG 1 5.646 1.230 -2.093 0.00 0.00 +0.118 A ATOM 28 N LIG 1 3.145 -1.787 -0.627 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 2.454 -1.532 0.489 0.00 0.00 +0.223 A ATOM 30 C LIG 1 4.883 1.447 -0.959 0.00 0.00 +0.058 A ATOM 31 N LIG 1 2.469 -0.390 1.171 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 4.734 -2.265 -3.067 0.00 0.00 +0.244 C ATOM 33 O LIG 1 5.363 -2.368 -4.115 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 4.011 -3.324 -2.604 0.00 0.00 -0.325 N ATOM 35 H LIG 1 3.961 -4.163 -3.164 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 3.426 -3.232 -1.778 0.00 0.00 +0.145 HD ENDBRANCH 25 32 BRANCH 27 37 ATOM 37 O LIG 1 6.486 2.181 -2.585 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 6.486 2.952 -1.994 0.00 0.00 +0.292 HD ENDBRANCH 27 37 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8