REMARK Name = BDB055934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.831 -0.677 0.347 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.130 0.146 -0.539 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.269 0.135 -0.573 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.999 -0.717 0.263 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.293 -1.510 1.173 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.108 -1.501 1.207 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.150 -1.310 1.074 0.00 0.00 +0.252 C ATOM 8 N LIG 1 -3.237 -0.606 0.315 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.636 0.048 -0.351 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.860 -2.148 1.925 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -6.103 -0.065 -0.096 0.00 0.00 +0.132 A ATOM 12 C LIG 1 -5.610 -1.020 0.821 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -6.528 -1.776 1.578 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -7.903 -1.599 1.433 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.383 -0.662 0.529 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.491 0.099 -0.231 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -5.684 1.670 -1.698 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -5.190 0.660 -0.823 0.00 0.00 -0.494 OA ENDBRANCH 11 18 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 19 ATOM 19 N LIG 1 2.413 -0.706 0.290 0.00 0.00 -0.314 N ATOM 20 H LIG 1 2.777 -1.477 0.848 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 3.297 -0.469 -0.800 0.00 0.00 +0.044 A ATOM 22 C LIG 1 4.557 0.150 -0.615 0.00 0.00 +0.046 A ATOM 23 C LIG 1 5.405 0.123 -1.736 0.00 0.00 +0.143 A ATOM 24 N LIG 1 6.706 0.601 -1.640 0.00 0.00 -0.306 N ATOM 25 H LIG 1 7.280 0.515 -2.466 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 7.279 1.094 -0.506 0.00 0.00 +0.258 A ATOM 27 C LIG 1 6.405 1.228 0.686 0.00 0.00 +0.047 A ATOM 28 C LIG 1 6.950 1.826 1.835 0.00 0.00 +0.014 A ATOM 29 C LIG 1 6.152 2.046 2.951 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.811 1.688 2.907 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.274 1.087 1.760 0.00 0.00 +0.009 A ATOM 32 O LIG 1 8.458 1.430 -0.478 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 5.098 -0.385 -2.950 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 3.887 -0.943 -3.084 0.00 0.00 +0.115 A ATOM 35 C LIG 1 5.059 0.805 0.626 0.00 0.00 -0.000 A ATOM 36 C LIG 1 2.978 -1.027 -2.051 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 5