REMARK Name = BDB064320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.045 0.455 -1.153 0.00 0.00 +0.149 C ATOM 2 C LIG 1 -0.464 -0.596 -0.137 0.00 0.00 +0.058 C ATOM 3 C LIG 1 -2.004 -0.387 -0.139 0.00 0.00 +0.037 C ATOM 4 C LIG 1 -2.664 -0.911 1.105 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -3.350 -2.088 0.795 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -3.956 -2.844 1.782 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.914 -2.368 3.092 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.255 -1.169 3.406 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -4.672 -3.269 4.349 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.261 -2.464 -0.573 0.00 0.00 -0.343 N ATOM 11 H LIG 1 -2.582 -3.226 -0.642 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 -2.615 -0.433 2.406 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.755 -1.226 -1.210 0.00 0.00 +0.115 C ATOM 14 C LIG 1 -2.077 1.144 -0.341 0.00 0.00 +0.068 C ATOM 15 N LIG 1 -1.076 1.402 -1.391 0.00 0.00 -0.301 NA ATOM 16 H LIG 1 -1.474 1.247 -2.316 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 0.064 -2.015 -0.295 0.00 0.00 -0.040 A ATOM 18 C LIG 1 0.350 -2.604 -1.536 0.00 0.00 +0.024 A ATOM 19 C LIG 1 0.849 -3.908 -1.608 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 1.205 -4.597 -3.144 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.060 -4.653 -0.453 0.00 0.00 +0.020 A ATOM 22 C LIG 1 0.771 -4.090 0.786 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.279 -2.785 0.863 0.00 0.00 +0.004 A ENDBRANCH 2 17 BRANCH 1 26 ATOM 24 N LIG 1 2.414 0.373 -0.628 0.00 0.00 -0.281 N ATOM 25 H LIG 1 2.322 -0.563 -1.014 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 1.289 1.181 -0.580 0.00 0.00 +0.235 C ATOM 27 O LIG 1 1.251 2.318 -0.120 0.00 0.00 -0.274 OA BRANCH 24 29 ATOM 28 C LIG 1 4.668 -0.388 -0.317 0.00 0.00 +0.142 A ATOM 29 C LIG 1 3.719 0.649 -0.171 0.00 0.00 +0.076 A ATOM 30 C LIG 1 4.098 1.859 0.414 0.00 0.00 +0.028 A ATOM 31 C LIG 1 5.414 2.052 0.843 0.00 0.00 +0.017 A ATOM 32 C LIG 1 6.357 1.034 0.671 0.00 0.00 +0.062 A ATOM 33 C LIG 1 5.984 -0.191 0.105 0.00 0.00 +0.062 A BRANCH 28 35 ATOM 34 C LIG 1 5.063 -2.665 -0.920 0.00 0.00 +0.277 C ATOM 35 O LIG 1 4.189 -1.542 -0.894 0.00 0.00 -0.493 OA ENDBRANCH 28 35 BRANCH 32 36 ATOM 36 C LIG 1 7.761 1.200 1.111 0.00 0.00 +0.337 C ATOM 37 O LIG 1 8.407 0.298 1.614 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 8.263 2.425 0.850 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 7.695 2.994 0.297 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 24 29 ENDBRANCH 1 26 BRANCH 14 40 ATOM 40 C LIG 1 -3.464 1.722 -0.690 0.00 0.00 +0.025 C BRANCH 40 41 ATOM 41 C LIG 1 -3.668 3.253 -0.486 0.00 0.00 -0.036 C ATOM 42 C LIG 1 -3.550 3.630 1.002 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -5.095 3.605 -0.957 0.00 0.00 +0.010 C ATOM 44 C LIG 1 -2.672 4.093 -1.299 0.00 0.00 +0.010 C ENDBRANCH 40 41 ENDBRANCH 14 40 TORSDOF 8