REMARK Name = BDB039348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.722 -5.697 -0.488 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -2.432 -4.459 -0.694 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.874 -3.215 -0.544 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.854 -2.271 -0.835 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.501 -0.909 -0.746 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.169 -0.639 -0.374 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.267 -1.673 -0.107 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.034 -2.997 -1.163 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.599 -2.984 -0.181 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -3.745 -4.342 -1.068 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.136 -1.409 0.287 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.874 -0.341 -0.269 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.188 -0.142 0.127 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.158 0.912 -0.290 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.388 0.502 0.384 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.156 -0.536 1.278 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.918 -1.007 2.099 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.776 -0.984 1.065 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.102 -2.039 1.640 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.779 -2.248 1.239 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.596 1.333 0.433 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.552 2.503 -0.562 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.836 3.491 -0.399 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.234 2.338 -1.744 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.114 3.074 -2.425 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 7.794 1.181 -2.223 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.110 1.078 -3.405 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.929 0.037 -1.248 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.881 0.533 0.189 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.451 0.229 -1.043 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -3.536 1.216 0.046 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.213 0.684 1.247 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -5.681 1.106 1.389 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -5.809 2.618 1.417 0.00 0.00 -0.027 C ATOM 35 C LIG 1 -6.385 3.281 2.652 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -7.207 3.205 1.401 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -4.702 3.345 0.679 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -4.147 2.465 -0.448 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4