REMARK Name = BDB059942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.193 -0.308 -1.611 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -2.909 0.250 -2.852 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.617 0.707 -3.147 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.590 0.612 -2.203 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.872 0.042 -0.959 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.162 -0.411 -0.672 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -4.382 -0.795 -1.169 0.00 0.00 -0.477 OA BRANCH 7 9 ATOM 8 C LIG 1 -6.064 0.713 -2.211 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -5.624 -0.722 -1.894 0.00 0.00 +0.180 C ATOM 10 C LIG 1 -5.643 -1.645 -3.115 0.00 0.00 +0.065 C BRANCH 9 11 ATOM 11 C LIG 1 -6.648 -1.271 -0.860 0.00 0.00 +0.257 C ATOM 12 N LIG 1 -6.531 -0.710 0.399 0.00 0.00 -0.308 N ATOM 13 H LIG 1 -5.628 -0.299 0.611 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 -7.524 -2.088 -1.134 0.00 0.00 -0.271 OA BRANCH 12 15 ATOM 15 C LIG 1 -7.317 -1.210 1.499 0.00 0.00 +0.139 C BRANCH 15 16 ATOM 16 C LIG 1 -7.092 -0.377 2.732 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -7.781 0.832 2.906 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -7.553 1.620 4.035 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.631 1.212 4.996 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.933 0.017 4.829 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.159 -0.772 3.701 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 9 11 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 0.803 1.081 -2.532 0.00 0.00 +0.076 C BRANCH 22 23 ATOM 23 C LIG 1 1.634 -0.014 -3.202 0.00 0.00 +0.233 C BRANCH 23 24 ATOM 24 O LIG 1 2.952 0.456 -3.495 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.912 0.361 -2.528 0.00 0.00 +0.121 A ATOM 26 C LIG 1 5.172 0.816 -2.917 0.00 0.00 +0.047 A ATOM 27 C LIG 1 6.250 0.784 -2.026 0.00 0.00 +0.027 A ATOM 28 C LIG 1 6.083 0.298 -0.726 0.00 0.00 +0.034 A ATOM 29 C LIG 1 4.823 -0.159 -0.340 0.00 0.00 +0.027 A ATOM 30 C LIG 1 3.743 -0.127 -1.234 0.00 0.00 +0.047 A BRANCH 28 31 ATOM 31 N LIG 1 7.216 0.293 0.114 0.00 0.00 -0.281 N ATOM 32 H LIG 1 8.065 0.659 -0.296 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 7.270 -0.067 1.449 0.00 0.00 +0.248 C ATOM 34 O LIG 1 6.327 -0.383 2.164 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 8.631 -0.013 2.055 0.00 0.00 +0.037 A ATOM 36 C LIG 1 8.752 0.397 3.389 0.00 0.00 +0.013 A ATOM 37 C LIG 1 10.010 0.462 3.989 0.00 0.00 +0.001 A ATOM 38 C LIG 1 11.148 0.108 3.264 0.00 0.00 +0.000 A ATOM 39 C LIG 1 11.031 -0.320 1.941 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.774 -0.385 1.335 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11