REMARK Name = BDB036930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 -0.098 -0.008 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.079 1.031 0.732 0.00 0.00 -0.129 NA ATOM 3 N LIG 1 1.194 1.363 0.566 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 1.742 0.453 -0.257 0.00 0.00 -0.239 N ATOM 5 C LIG 1 0.827 -0.483 -0.641 0.00 0.00 +0.139 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 3.140 0.533 -0.630 0.00 0.00 +0.195 C ATOM 7 C LIG 1 3.375 1.733 -1.523 0.00 0.00 +0.244 C ATOM 8 O LIG 1 3.122 1.709 -2.728 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 3.903 2.861 -0.945 0.00 0.00 -0.255 N ATOM 10 H LIG 1 4.093 3.626 -1.579 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 4.513 2.957 0.279 0.00 0.00 +0.219 C ATOM 12 O LIG 1 5.227 3.918 0.551 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 4.248 1.837 1.253 0.00 0.00 +0.099 C ATOM 14 C LIG 1 4.121 0.495 0.543 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 18 ATOM 15 C LIG 1 -4.172 -1.981 -0.149 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -3.190 -2.317 -1.081 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -1.929 -1.709 -1.047 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -1.630 -0.750 -0.072 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.623 -0.414 0.859 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -3.884 -1.025 0.823 0.00 0.00 +0.046 A BRANCH 15 22 ATOM 21 C LIG 1 -6.396 -2.319 0.615 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.353 -2.654 -0.293 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 1 18 TORSDOF 3