REMARK Name = BDB036017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.574 0.870 -1.379 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.722 -0.177 -2.320 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.626 -0.956 -2.739 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.382 -0.656 -2.192 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.053 -1.294 -2.433 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.852 -0.547 -1.571 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.172 0.458 -0.874 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.566 1.292 -0.082 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.240 0.374 -1.270 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.305 1.146 -0.847 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.243 -0.840 -1.497 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.112 -0.127 -0.654 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.503 -0.390 -0.558 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.993 -1.428 -1.371 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.156 -2.156 -2.214 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.794 -1.865 -2.274 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.441 0.478 0.437 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.592 2.000 0.051 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.902 1.624 -0.681 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -8.028 2.636 -0.620 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -7.004 0.419 0.284 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.013 0.257 1.947 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.889 -0.931 2.615 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.109 -2.258 2.111 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.519 -0.614 3.885 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -4.437 0.690 4.006 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.746 1.239 2.784 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.783 -2.074 -3.734 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.414 -3.278 -3.216 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.055 -2.233 -4.188 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.007 -1.895 -4.838 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.773 1.688 -0.939 0.00 0.00 +0.119 C BRANCH 32 37 ATOM 33 C LIG 1 6.010 0.026 2.266 0.00 0.00 +0.132 C ATOM 34 O LIG 1 6.988 1.016 2.628 0.00 0.00 -0.374 OA ATOM 35 C LIG 1 6.467 2.330 2.394 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.078 2.520 0.919 0.00 0.00 +0.113 C ATOM 37 N LIG 1 5.086 1.512 0.485 0.00 0.00 -0.294 NA ATOM 38 C LIG 1 5.629 0.164 0.773 0.00 0.00 +0.116 C BRANCH 33 40 ATOM 39 C LIG 1 7.864 -1.723 1.905 0.00 0.00 +0.006 C ATOM 40 C LIG 1 6.565 -1.362 2.614 0.00 0.00 +0.029 C ENDBRANCH 33 40 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 7