REMARK Name = BDB039305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.171 -1.434 -1.137 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -2.123 -2.752 -0.870 0.00 0.00 +0.097 A ATOM 3 N LIG 1 -0.965 -3.299 -0.332 0.00 0.00 -0.306 N ATOM 4 C LIG 1 0.182 -2.566 -0.046 0.00 0.00 +0.145 A ATOM 5 N LIG 1 1.128 -3.348 0.445 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 0.584 -4.604 0.491 0.00 0.00 +0.131 A ATOM 7 C LIG 1 0.159 -1.154 -0.327 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.706 -4.600 0.015 0.00 0.00 +0.112 A ATOM 9 C LIG 1 -0.972 -0.635 -0.868 0.00 0.00 +0.018 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.317 -0.248 -0.102 0.00 0.00 -0.014 A ATOM 11 C LIG 1 2.605 -0.650 -0.506 0.00 0.00 +0.014 A ATOM 12 C LIG 1 3.675 0.201 -0.282 0.00 0.00 -0.017 A ATOM 13 C LIG 1 5.122 0.008 -0.584 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.702 1.287 -0.188 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.773 2.108 0.436 0.00 0.00 +0.248 C ATOM 16 O LIG 1 4.962 3.186 0.965 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.475 1.432 0.337 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.235 1.860 0.763 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.150 1.004 0.543 0.00 0.00 +0.009 A BRANCH 14 20 ATOM 20 C LIG 1 7.136 1.518 -0.070 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.764 0.719 1.085 0.00 0.00 +0.240 C ATOM 22 O LIG 1 7.125 0.140 1.960 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 9.140 0.677 1.089 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.545 0.137 1.843 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.955 0.840 -0.003 0.00 0.00 +0.219 C ATOM 26 O LIG 1 11.115 0.440 0.007 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.355 1.551 -1.193 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.885 1.198 -1.361 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.380 -0.756 -1.731 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.029 0.202 -0.838 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 -3.354 0.882 -0.499 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.708 -0.440 0.294 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 -5.497 0.574 1.141 0.00 0.00 +0.050 C BRANCH 33 36 ATOM 34 C LIG 1 -8.102 -0.841 1.729 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -8.025 0.326 0.783 0.00 0.00 -0.047 A ATOM 36 C LIG 1 -6.812 0.995 0.516 0.00 0.00 -0.043 A ATOM 37 C LIG 1 -6.814 2.081 -0.377 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -7.993 2.511 -0.984 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -9.190 1.861 -0.707 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.207 0.778 0.170 0.00 0.00 +0.003 A ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 7