REMARK Name = BDB021552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -1.041 -3.129 0.00 0.00 +0.053 C ATOM 2 C LIG 1 1.272 -0.529 -1.741 0.00 0.00 +0.189 C ATOM 3 O LIG 1 2.115 -1.537 -1.172 0.00 0.00 -0.471 OA ATOM 4 C LIG 1 2.350 -1.331 0.159 0.00 0.00 +0.231 A ATOM 5 C LIG 1 1.396 -1.669 1.108 0.00 0.00 +0.099 A ATOM 6 C LIG 1 1.752 -1.594 2.452 0.00 0.00 +0.023 A ATOM 7 C LIG 1 3.035 -1.170 2.788 0.00 0.00 +0.068 A ATOM 8 C LIG 1 3.909 -0.830 1.764 0.00 0.00 +0.218 A ATOM 9 C LIG 1 0.025 -2.071 0.737 0.00 0.00 +0.252 C ATOM 10 O LIG 1 -0.511 -2.959 1.395 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.605 -1.382 -0.309 0.00 0.00 -0.291 N ATOM 12 N LIG 1 3.597 -0.899 0.453 0.00 0.00 -0.177 NA ATOM 13 C LIG 1 0.010 -0.203 -0.918 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 5.154 -0.393 2.164 0.00 0.00 -0.473 OA BRANCH 14 15 ATOM 15 C LIG 1 6.051 -0.025 1.104 0.00 0.00 +0.178 C ATOM 16 C LIG 1 5.719 1.377 0.569 0.00 0.00 +0.060 C ATOM 17 C LIG 1 6.953 2.269 0.411 0.00 0.00 +0.087 C ATOM 18 N LIG 1 8.046 1.500 -0.181 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 9.150 2.355 -0.609 0.00 0.00 +0.104 C ATOM 20 C LIG 1 8.513 0.422 0.701 0.00 0.00 +0.087 C ATOM 21 C LIG 1 7.459 -0.063 1.697 0.00 0.00 +0.060 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 22 ATOM 22 C LIG 1 -2.047 -1.580 -0.484 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.907 -0.488 0.191 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.542 -0.314 1.568 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.363 -0.025 2.018 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.408 -0.848 0.107 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.254 0.068 0.908 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.646 -0.428 0.976 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.472 -0.183 -0.269 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.130 0.838 -1.176 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.937 1.074 -2.299 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.090 0.317 -2.506 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.440 -0.685 -1.601 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.868 1.638 -0.977 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.637 -0.933 -0.487 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.271 1.461 0.425 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7