REMARK Name = BDB031750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.768 -2.679 -1.698 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.596 -1.333 -2.077 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.384 -0.701 -1.776 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.330 -1.339 -1.137 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.302 -0.348 -1.036 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.713 0.822 -1.535 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.486 -2.689 -0.776 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.944 0.573 -1.999 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.443 1.329 -2.452 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.699 -3.335 -1.066 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.342 -0.300 1.404 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.851 -1.384 0.661 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.590 -1.869 -0.409 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.381 -2.992 -1.387 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.060 -3.400 -2.008 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.629 -2.971 -2.240 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.413 -1.923 -1.789 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.310 -1.702 -2.192 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.875 -3.744 -3.151 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.731 -4.282 -0.974 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.821 -1.267 -0.708 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.334 -0.200 -0.002 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.576 0.287 1.069 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.961 1.189 3.224 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.526 0.090 2.433 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.886 -0.604 -0.439 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.061 -1.545 -0.105 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.131 0.042 -0.648 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.134 -0.117 0.313 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.391 0.420 0.027 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.574 1.121 -1.108 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -3.541 1.303 -1.952 0.00 0.00 +0.137 A ATOM 33 N LIG 1 -2.331 0.766 -1.759 0.00 0.00 -0.213 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.508 0.233 0.860 0.00 0.00 -0.307 N ATOM 35 C LIG 1 -6.813 0.664 0.316 0.00 0.00 +0.138 C ATOM 36 C LIG 1 -7.295 2.001 0.924 0.00 0.00 +0.133 C ATOM 37 C LIG 1 -6.520 3.211 0.414 0.00 0.00 +0.039 C ATOM 38 O LIG 1 -7.277 2.044 2.366 0.00 0.00 -0.371 OA ATOM 39 C LIG 1 -6.655 0.900 2.970 0.00 0.00 +0.133 C ATOM 40 C LIG 1 -6.448 1.222 4.445 0.00 0.00 +0.039 C ATOM 41 C LIG 1 -5.314 0.552 2.288 0.00 0.00 +0.138 C ENDBRANCH 30 34 BRANCH 32 42 ATOM 42 C LIG 1 -3.777 2.140 -3.185 0.00 0.00 +0.057 C ATOM 43 C LIG 1 -3.987 3.632 -3.045 0.00 0.00 +0.012 C ATOM 44 C LIG 1 -2.726 3.113 -3.671 0.00 0.00 +0.012 C ENDBRANCH 32 42 BRANCH 29 45 ATOM 45 O LIG 1 -2.913 -0.867 1.445 0.00 0.00 -0.489 OA ATOM 46 C LIG 1 -2.024 -0.194 2.344 0.00 0.00 +0.277 C ENDBRANCH 29 45 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7