REMARK Name = BDB006350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.163 -1.491 0.406 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.028 -1.440 -0.990 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.821 -1.864 -1.583 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.372 -1.948 -2.929 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.908 -2.448 -2.914 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.271 -2.647 -1.603 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.222 -2.311 -0.767 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.105 -2.347 0.631 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.100 -1.926 1.202 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.590 -1.271 0.394 0.00 0.00 -0.305 N ATOM 11 H LIG 1 4.564 -1.671 -0.532 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.417 -1.061 1.085 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.371 -0.576 2.211 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 6.926 -1.877 0.773 0.00 0.00 +0.033 C ATOM 15 C LIG 1 5.868 -0.777 0.878 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 6.213 0.510 0.142 0.00 0.00 -0.027 A ATOM 17 C LIG 1 5.720 1.728 0.648 0.00 0.00 +0.007 A ATOM 18 C LIG 1 5.980 2.938 0.001 0.00 0.00 +0.033 A ATOM 19 C LIG 1 6.737 2.937 -1.175 0.00 0.00 +0.126 A ATOM 20 C LIG 1 7.224 1.737 -1.705 0.00 0.00 +0.033 A ATOM 21 C LIG 1 6.956 0.530 -1.050 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 7.016 4.203 -1.864 0.00 0.00 +0.056 N ATOM 23 O LIG 1 6.590 5.247 -1.351 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 7.663 4.153 -2.921 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -2.559 -3.193 -1.184 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.495 -2.128 -0.668 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.949 -2.164 0.657 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -4.821 -1.182 1.138 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.266 -0.144 0.308 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -4.824 -0.121 -1.022 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.950 -1.100 -1.505 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.182 0.885 0.821 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -5.776 2.215 1.072 0.00 0.00 -0.014 A ATOM 34 C LIG 1 -6.718 3.148 1.547 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -8.039 2.776 1.790 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.441 1.466 1.556 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.522 0.532 1.076 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -4.368 2.701 0.817 0.00 0.00 +0.191 C BRANCH 38 39 ATOM 39 O LIG 1 -4.292 3.386 -0.428 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -5.150 3.285 -0.873 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9