REMARK Name = BDB058240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.471 1.473 0.664 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.227 0.164 1.103 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.952 -0.366 0.967 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.467 -1.711 1.411 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.146 -1.842 0.636 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.636 -0.408 0.420 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.761 -0.277 -0.797 0.00 0.00 +0.273 C ATOM 8 O LIG 1 1.073 -0.480 -1.960 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.453 0.118 -0.342 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.443 0.258 1.000 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -1.389 0.586 1.698 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 0.799 0.001 1.501 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.911 0.385 0.412 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.134 1.682 -0.020 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.422 2.219 0.101 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.290 4.554 0.500 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.611 3.304 0.737 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.099 2.473 0.439 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.236 3.246 0.588 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.785 1.962 0.805 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.448 1.349 1.256 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 6.562 4.229 0.315 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.643 0.219 -1.159 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.334 -1.146 -1.199 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.612 -1.246 -1.757 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.485 -0.156 -2.235 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -3.821 0.877 -3.147 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -5.264 0.500 -1.087 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -6.337 -0.431 -0.507 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.813 -1.532 0.387 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.885 -2.498 -0.057 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -4.456 -3.496 0.837 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.939 -3.550 2.143 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.860 -2.605 2.577 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.294 -1.606 1.706 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -4.314 -2.496 -1.461 0.00 0.00 +0.143 C ATOM 37 O LIG 1 -1.744 -2.144 -0.764 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 3