REMARK Name = BDB010614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.429 1.267 -1.004 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.519 0.344 0.026 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.710 -0.334 -0.130 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.215 0.153 -1.327 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -3.348 -0.276 -1.903 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.958 -1.239 -1.207 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -3.559 -1.773 -0.032 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -2.425 -1.315 0.544 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.419 1.123 -1.852 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 1.733 5.680 -0.010 0.00 0.00 +0.040 C ATOM 11 C LIG 1 1.579 4.426 -0.863 0.00 0.00 +0.135 C ATOM 12 C LIG 1 0.600 3.373 -0.259 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -0.813 3.942 -0.046 0.00 0.00 +0.030 C ATOM 14 N LIG 1 0.612 2.137 -1.113 0.00 0.00 -0.293 N ATOM 15 C LIG 1 1.074 2.382 -2.506 0.00 0.00 +0.136 C ATOM 16 C LIG 1 0.685 3.779 -2.998 0.00 0.00 +0.179 C ATOM 17 O LIG 1 1.200 4.847 -2.184 0.00 0.00 -0.373 OA ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 -5.207 -1.776 -1.788 0.00 0.00 +0.287 A ATOM 19 O LIG 1 -5.812 -2.760 -1.073 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 -6.911 -3.072 -1.808 0.00 0.00 +0.436 A ATOM 21 O LIG 1 -7.742 -3.917 -1.527 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 -6.886 -2.257 -2.904 0.00 0.00 -0.208 N ATOM 23 H LIG 1 -7.573 -2.246 -3.646 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 -5.805 -1.434 -2.892 0.00 0.00 -0.127 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -2.076 -1.898 1.826 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -1.635 -3.224 1.931 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -1.299 -3.745 3.176 0.00 0.00 +0.060 A ATOM 28 CL LIG 1 -0.732 -5.357 3.322 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 -1.421 -2.929 4.290 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -1.856 -1.647 4.237 0.00 0.00 -0.261 NA ATOM 31 C LIG 1 -2.190 -1.173 3.013 0.00 0.00 +0.120 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.529 0.088 0.998 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.774 -0.616 0.422 0.00 0.00 +0.009 C ATOM 34 C LIG 1 1.482 -2.047 -0.041 0.00 0.00 +0.005 C ATOM 35 C LIG 1 2.705 -2.687 -0.706 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.045 -2.348 -0.027 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.875 -1.378 -0.874 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.838 -1.815 1.393 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.912 -0.599 1.463 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5