REMARK Name = BDB025252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.119 -0.871 1.132 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.833 -1.088 1.660 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.625 -2.125 2.700 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.262 -1.710 4.039 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.156 -2.477 2.985 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.351 -2.490 1.706 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.435 -1.117 1.110 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.314 -0.492 0.524 0.00 0.00 +0.095 A ATOM 9 N LIG 1 0.033 -0.959 0.405 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -0.659 -0.023 -0.231 0.00 0.00 +0.198 A ATOM 11 N LIG 1 0.155 1.067 -0.499 0.00 0.00 -0.317 N ATOM 12 C LIG 1 1.429 0.766 -0.045 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.644 1.454 -0.081 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.757 0.823 0.494 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.679 -0.446 1.086 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.418 -0.079 0.245 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.201 2.331 -1.144 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.213 2.218 -2.677 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.440 3.576 -3.362 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.407 4.499 -2.608 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.282 3.749 -1.611 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.440 3.037 -0.554 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 0.878 4.291 -3.561 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.859 4.225 -2.840 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.875 5.087 -4.647 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.770 5.488 -4.657 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.061 -0.203 -0.621 0.00 0.00 +0.282 C ATOM 28 N LIG 1 -2.870 -1.070 0.140 0.00 0.00 -0.295 N ATOM 29 C LIG 1 -2.507 -1.516 1.481 0.00 0.00 +0.132 C ATOM 30 O LIG 1 -2.537 0.376 -1.600 0.00 0.00 -0.267 OA BRANCH 28 31 ATOM 31 C LIG 1 -4.199 -1.424 -0.383 0.00 0.00 +0.076 C ATOM 32 C LIG 1 -4.606 -2.877 -0.103 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -5.912 -3.243 -0.815 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -6.876 -2.065 -0.971 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.685 -1.022 0.122 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -5.272 -0.433 0.110 0.00 0.00 +0.022 C ENDBRANCH 28 31 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 8.376 -1.538 1.172 0.00 0.00 +0.282 C ATOM 38 O LIG 1 7.056 -1.696 1.693 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 6