REMARK Name = BDB004744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.365 -0.419 -1.429 0.00 0.00 +0.116 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.877 1.406 -0.540 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.930 0.402 -0.753 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.377 0.711 -1.177 0.00 0.00 -0.024 A ATOM 5 C LIG 1 -0.717 2.054 -1.391 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.219 3.063 -1.173 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.508 2.740 -0.748 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.815 -0.066 0.051 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.198 1.162 -0.108 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.771 1.984 0.028 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.358 -1.164 -0.245 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.823 0.054 1.600 0.00 0.00 +0.120 A ATOM 13 C LIG 1 6.871 0.959 2.075 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.561 0.930 1.580 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.199 -0.002 0.599 0.00 0.00 +0.037 A ATOM 16 C LIG 1 6.147 -0.920 0.137 0.00 0.00 +0.016 A ATOM 17 C LIG 1 7.452 -0.884 0.632 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 9.556 0.897 2.994 0.00 0.00 +0.277 C ATOM 19 O LIG 1 9.129 -0.022 1.997 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.740 -0.038 -1.052 0.00 0.00 -0.320 N ATOM 21 H LIG 1 -3.378 -0.587 -1.634 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.102 -0.211 0.299 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.418 0.096 0.705 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.724 -0.100 2.066 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.040 0.187 2.486 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -7.012 0.661 1.582 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.696 0.866 0.250 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -3.776 -0.547 2.921 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.554 -0.784 2.432 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -5.407 0.587 -0.185 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -2.174 -0.641 1.166 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -6.506 0.015 3.898 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.672 0.217 4.221 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -5.601 -0.377 4.839 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.640 -0.584 4.580 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -5.910 -0.524 5.788 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.370 -0.794 -2.949 0.00 0.00 +0.110 C BRANCH 37 38 ATOM 38 N LIG 1 -2.466 -1.731 -3.333 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 -2.243 -3.066 -2.764 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -2.537 -1.828 -4.794 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9