REMARK Name = BDB031783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.542 -0.085 2.843 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.646 0.803 3.467 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.342 0.904 2.966 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.120 0.161 1.889 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.482 0.564 1.712 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.820 1.503 2.600 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.764 -0.743 1.271 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.723 1.668 3.348 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.764 2.335 4.110 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.074 -0.854 1.762 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.520 1.902 -0.884 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.293 1.575 0.460 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.126 0.663 1.095 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.164 0.115 2.493 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.960 -0.245 3.341 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.374 -0.792 2.506 0.00 0.00 +0.231 C ATOM 17 N LIG 1 6.916 -0.763 1.226 0.00 0.00 -0.273 N ATOM 18 C LIG 1 8.090 -1.490 0.826 0.00 0.00 +0.138 C ATOM 19 O LIG 1 6.760 -1.412 3.484 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.809 0.964 3.680 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.194 0.100 0.378 0.00 0.00 +0.040 A ATOM 22 C LIG 1 6.441 0.404 -0.948 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.589 1.314 -1.581 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.807 3.183 -2.761 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.631 2.806 -1.401 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.253 0.051 0.725 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.865 -0.673 0.134 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.664 0.067 0.583 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.195 -0.302 -0.657 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -5.585 -0.307 -0.811 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -6.374 0.123 0.191 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -5.773 0.487 1.333 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -4.462 0.465 1.584 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -6.196 -0.718 -2.003 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -7.638 -0.439 -2.111 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -8.148 -0.951 -3.467 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.980 -2.366 -3.658 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.997 -2.941 -2.786 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -5.781 -2.030 -2.542 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.330 -0.671 -1.666 0.00 0.00 -0.489 OA ATOM 41 C LIG 1 -3.152 0.430 -2.562 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6