REMARK Name = BDB038445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.043 0.811 0.451 0.00 0.00 +0.006 A ATOM 2 C LIG 1 -2.768 0.250 0.484 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.755 0.824 -0.274 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.993 1.912 -1.031 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.236 2.451 -1.113 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.279 1.912 -0.367 0.00 0.00 +0.033 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.452 0.281 -0.260 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.643 0.824 -0.932 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.776 1.830 -1.604 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.774 -0.082 -0.684 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.335 -1.128 0.118 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.208 -2.127 0.506 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.535 -2.049 0.066 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.982 -0.984 -0.755 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.080 0.020 -1.132 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.111 -0.948 0.430 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.423 -0.927 -1.204 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.304 -0.642 -0.069 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 6.019 0.261 0.315 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.702 -0.517 -0.518 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 8.649 -0.478 0.693 0.00 0.00 +0.078 C ATOM 22 C LIG 1 10.150 -0.319 0.325 0.00 0.00 +0.036 C ATOM 23 C LIG 1 10.471 -1.353 1.420 0.00 0.00 +0.006 C ATOM 24 C LIG 1 9.028 -1.871 1.279 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 8.158 0.474 1.672 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 7.316 0.076 1.962 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.212 -0.525 0.951 0.00 0.00 +0.064 A ATOM 28 C LIG 1 -5.115 0.260 1.273 0.00 0.00 +0.079 A ATOM 29 N LIG 1 -5.223 0.482 2.629 0.00 0.00 -0.266 N ATOM 30 C LIG 1 -4.350 1.286 3.456 0.00 0.00 +0.173 C ATOM 31 N LIG 1 -6.276 -0.137 3.198 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 -6.880 -0.736 2.170 0.00 0.00 +0.146 A BRANCH 27 35 ATOM 33 C LIG 1 -8.707 -2.333 -0.058 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -7.639 -1.809 -0.864 0.00 0.00 -0.316 N ATOM 35 C LIG 1 -6.571 -1.042 -0.475 0.00 0.00 +0.167 A ATOM 36 N LIG 1 -5.844 -0.785 -1.546 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -6.435 -1.380 -2.634 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -7.513 -1.991 -2.208 0.00 0.00 +0.225 A ENDBRANCH 27 35 ENDBRANCH 1 28 BRANCH 5 39 ATOM 39 C LIG 1 -3.396 3.638 -2.041 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.595 3.758 -2.953 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.423 4.721 -1.813 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 9