REMARK Name = BDB048350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.121 -1.702 -2.676 0.00 0.00 +0.109 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.370 -2.090 -2.018 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -1.873 -3.428 -2.305 0.00 0.00 +0.130 C BRANCH 2 6 ATOM 4 C LIG 1 -3.176 -0.689 0.689 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -2.834 -1.129 -0.535 0.00 0.00 -0.212 NA ATOM 6 C LIG 1 -1.629 -1.710 -0.707 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -0.770 -1.903 0.368 0.00 0.00 +0.008 A ATOM 8 C LIG 1 0.563 -2.574 0.305 0.00 0.00 +0.049 C ATOM 9 C LIG 1 -1.211 -1.404 1.581 0.00 0.00 +0.120 A ATOM 10 N LIG 1 -2.394 -0.799 1.774 0.00 0.00 -0.235 NA BRANCH 4 14 ATOM 11 C LIG 1 -7.042 1.198 1.144 0.00 0.00 -0.048 A ATOM 12 C LIG 1 -6.192 1.045 2.242 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.942 0.433 2.093 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.496 -0.043 0.846 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -5.365 0.128 -0.249 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -6.616 0.740 -0.106 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 -8.284 3.376 1.084 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -8.380 1.873 1.297 0.00 0.00 +0.032 C ENDBRANCH 11 18 ENDBRANCH 4 14 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.101 -0.187 -2.631 0.00 0.00 +0.060 C BRANCH 19 20 ATOM 20 C LIG 1 1.338 0.228 -3.425 0.00 0.00 +0.230 C BRANCH 20 21 ATOM 21 O LIG 1 2.504 -0.487 -3.016 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.178 -0.076 -1.899 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.259 -0.893 -1.551 0.00 0.00 +0.049 A ATOM 24 C LIG 1 5.005 -0.582 -0.425 0.00 0.00 -0.040 A ATOM 25 C LIG 1 6.212 -1.291 0.100 0.00 0.00 +0.036 C ATOM 26 C LIG 1 6.278 -0.734 1.529 0.00 0.00 +0.013 C ATOM 27 C LIG 1 5.673 0.689 1.491 0.00 0.00 +0.030 C ATOM 28 C LIG 1 4.702 0.540 0.351 0.00 0.00 -0.040 A ATOM 29 C LIG 1 3.641 1.363 0.015 0.00 0.00 +0.008 A ATOM 30 C LIG 1 2.877 1.049 -1.116 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 6.735 1.757 1.230 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 6.205 3.139 1.520 0.00 0.00 +0.305 C ATOM 33 O LIG 1 5.843 3.932 0.666 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 6.158 3.430 2.840 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 6.491 2.722 3.423 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11