REMARK Name = BDB008653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.300 0.906 -1.617 0.00 0.00 +0.162 A ATOM 2 C LIG 1 1.914 -0.399 -1.293 0.00 0.00 +0.162 A ATOM 3 C LIG 1 0.664 -0.861 -1.720 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -0.207 -0.040 -2.464 0.00 0.00 -0.024 A ATOM 5 C LIG 1 0.215 1.266 -2.772 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.464 1.733 -2.363 0.00 0.00 +0.050 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.572 -0.522 -2.951 0.00 0.00 +0.104 C ATOM 8 C LIG 1 -1.666 -2.022 -3.273 0.00 0.00 +0.033 C BRANCH 7 9 ATOM 9 N LIG 1 -2.692 -0.070 -2.086 0.00 0.00 -0.289 N ATOM 10 C LIG 1 -2.792 -0.582 -0.779 0.00 0.00 +0.246 C ATOM 11 O LIG 1 -1.943 -1.339 -0.297 0.00 0.00 -0.273 OA BRANCH 10 12 ATOM 12 C LIG 1 -4.045 -0.218 0.055 0.00 0.00 +0.217 C ATOM 13 O LIG 1 -3.738 -0.158 1.463 0.00 0.00 -0.365 OA ATOM 14 C LIG 1 -4.136 -1.338 2.160 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -5.661 -1.513 2.077 0.00 0.00 +0.109 C ATOM 16 N LIG 1 -6.245 -1.248 0.744 0.00 0.00 -0.311 NA ATOM 17 H LIG 1 -6.663 -0.315 0.777 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -5.175 -1.226 -0.271 0.00 0.00 +0.122 C ENDBRANCH 10 12 BRANCH 9 19 ATOM 19 C LIG 1 -3.799 0.581 -2.764 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -3.606 1.747 -3.707 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -4.273 1.966 -2.389 0.00 0.00 +0.024 C ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 O LIG 1 3.526 1.401 -1.249 0.00 0.00 -0.488 OA BRANCH 22 23 ATOM 23 C LIG 1 3.477 1.878 0.106 0.00 0.00 +0.231 C BRANCH 23 24 ATOM 24 C LIG 1 4.913 2.100 0.571 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 4.980 2.457 2.047 0.00 0.00 +0.163 C BRANCH 25 27 ATOM 26 C LIG 1 4.303 4.052 3.647 0.00 0.00 +0.193 C ATOM 27 O LIG 1 4.335 3.714 2.264 0.00 0.00 -0.383 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 O LIG 1 2.823 -1.159 -0.603 0.00 0.00 -0.488 OA BRANCH 28 29 ATOM 29 C LIG 1 2.277 -2.181 0.233 0.00 0.00 +0.231 C BRANCH 29 30 ATOM 30 C LIG 1 3.395 -2.754 1.104 0.00 0.00 +0.069 C BRANCH 30 31 ATOM 31 C LIG 1 4.037 -1.714 2.025 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 O LIG 1 3.099 -1.063 2.883 0.00 0.00 -0.383 OA ATOM 33 C LIG 1 2.665 -1.864 3.971 0.00 0.00 +0.193 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 14