REMARK Name = BDB037748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.014 -2.284 -0.255 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.893 -1.222 -0.116 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.537 0.113 -0.197 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.724 0.873 -0.006 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.748 0.039 0.230 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.874 0.550 -0.485 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.773 -0.523 0.170 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.256 -1.213 0.087 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.385 -1.943 -0.309 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.267 -2.748 -0.636 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.854 2.349 -0.060 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.096 2.947 0.138 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.250 4.379 0.067 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.647 4.733 0.492 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.341 3.449 0.863 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.466 5.230 1.281 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.417 2.309 0.351 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.866 3.050 -0.290 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.963 1.751 -0.906 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.415 1.321 -1.887 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.191 -2.320 0.266 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.629 -2.004 -0.183 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.526 -3.205 0.074 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.483 -3.572 1.452 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.179 -3.957 1.880 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.197 -2.806 1.719 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.215 -0.328 0.031 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.722 -1.109 -0.372 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.886 0.609 0.780 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.319 1.375 1.551 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.370 0.635 0.644 0.00 0.00 +0.039 A ATOM 32 C LIG 1 6.111 1.177 1.708 0.00 0.00 +0.040 A ATOM 33 C LIG 1 7.503 1.202 1.575 0.00 0.00 +0.066 A ATOM 34 C LIG 1 8.164 0.727 0.448 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.532 0.938 0.727 0.00 0.00 +0.142 A ATOM 36 N LIG 1 9.736 1.495 1.924 0.00 0.00 -0.181 NA ATOM 37 C LIG 1 7.414 0.202 -0.618 0.00 0.00 +0.012 A ATOM 38 N LIG 1 8.492 1.650 2.412 0.00 0.00 -0.277 N ATOM 39 H LIG 1 8.382 2.070 3.328 0.00 0.00 +0.189 HD ATOM 40 C LIG 1 6.015 0.166 -0.509 0.00 0.00 +0.014 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.056 0.813 -1.978 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.944 0.027 -2.916 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.324 1.427 -2.522 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.644 -3.907 -1.998 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.310 -3.678 -0.531 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7