REMARK Name = BDB036366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.036 0.406 -1.643 0.00 0.00 -0.037 A ATOM 2 C LIG 1 0.762 1.504 -2.470 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.255 2.392 -2.091 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.017 2.233 -0.934 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.941 3.319 -0.899 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.721 4.100 -2.010 0.00 0.00 +0.083 A ATOM 7 C LIG 1 -0.761 1.127 -0.092 0.00 0.00 -0.022 A ATOM 8 N LIG 1 -0.697 3.535 -2.719 0.00 0.00 -0.361 N ATOM 9 H LIG 1 -0.310 3.899 -3.580 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 0.267 0.234 -0.476 0.00 0.00 +0.010 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.125 -0.632 -1.949 0.00 0.00 +0.060 C BRANCH 11 22 ATOM 12 C LIG 1 3.168 -3.248 -0.823 0.00 0.00 +0.046 C ATOM 13 C LIG 1 3.728 -1.924 -0.381 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.765 -1.871 0.579 0.00 0.00 +0.116 A ATOM 15 N LIG 1 5.420 -2.890 1.228 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 6.317 -2.356 2.044 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 6.230 -1.020 1.918 0.00 0.00 -0.247 N ATOM 18 C LIG 1 7.089 -0.182 2.711 0.00 0.00 +0.175 C ATOM 19 C LIG 1 5.277 -0.653 1.006 0.00 0.00 +0.089 A ATOM 20 C LIG 1 4.820 0.573 0.527 0.00 0.00 +0.030 A ATOM 21 C LIG 1 3.798 0.528 -0.425 0.00 0.00 +0.007 A ATOM 22 C LIG 1 3.238 -0.685 -0.886 0.00 0.00 -0.034 A ENDBRANCH 11 22 BRANCH 11 23 ATOM 23 C LIG 1 2.699 -0.666 -3.379 0.00 0.00 +0.133 C BRANCH 23 24 ATOM 24 C LIG 1 3.812 0.311 -3.644 0.00 0.00 +0.306 C ATOM 25 O LIG 1 3.742 1.529 -3.634 0.00 0.00 -0.251 OA BRANCH 24 26 ATOM 26 O LIG 1 4.976 -0.299 -3.943 0.00 0.00 -0.481 OA ATOM 27 H LIG 1 5.614 0.434 -4.066 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 11 23 ENDBRANCH 1 11 BRANCH 7 28 ATOM 28 C LIG 1 -1.534 0.844 1.181 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 N LIG 1 -2.360 -0.404 1.118 0.00 0.00 -0.169 NA ATOM 30 S LIG 1 -2.990 -0.864 2.644 0.00 0.00 +0.065 S ATOM 31 O LIG 1 -2.155 -0.278 3.674 0.00 0.00 -0.153 OA ATOM 32 O LIG 1 -3.254 -2.285 2.649 0.00 0.00 -0.153 OA ATOM 33 C LIG 1 -4.533 -0.011 2.643 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -5.527 -0.440 1.766 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -6.765 0.198 1.764 0.00 0.00 +0.047 A ATOM 36 C LIG 1 -6.988 1.288 2.608 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -5.982 1.727 3.472 0.00 0.00 +0.002 A ATOM 38 O LIG 1 -5.381 -1.533 0.967 0.00 0.00 -0.486 OA ATOM 39 C LIG 1 -4.435 -1.432 -0.111 0.00 0.00 +0.186 C ATOM 40 C LIG 1 -3.888 -2.825 -0.420 0.00 0.00 +0.053 C ATOM 41 C LIG 1 -4.750 1.073 3.498 0.00 0.00 +0.032 A ATOM 42 C LIG 1 -3.319 -0.369 -0.043 0.00 0.00 +0.154 C ENDBRANCH 28 29 ENDBRANCH 7 28 TORSDOF 7