REMARK Name = BDB039416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.065 4.414 2.267 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.138 3.911 1.442 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.051 2.783 0.667 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.277 2.607 0.032 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.422 1.495 -0.821 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.296 0.656 -0.939 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.116 0.924 -0.239 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.110 3.685 0.450 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.041 2.002 0.566 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -2.382 4.472 1.318 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.072 0.045 -0.340 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.371 0.601 -0.316 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.474 -0.232 -0.415 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.927 0.106 -0.398 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.557 -1.191 -0.618 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.632 -2.226 -0.614 0.00 0.00 +0.248 C ATOM 17 O LIG 1 4.847 -3.421 -0.674 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.305 -1.608 -0.530 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.062 -2.204 -0.544 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.945 -1.367 -0.447 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.985 -1.430 -0.453 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.436 -1.296 1.012 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.673 -1.218 1.972 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.798 -1.257 1.204 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.085 -1.151 2.169 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.725 -0.838 0.284 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.843 -0.469 0.632 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.302 -0.876 -1.166 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.834 -0.505 -1.319 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.684 1.176 -1.591 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.215 -0.150 -1.254 0.00 0.00 -0.297 NA ATOM 32 C LIG 1 -4.910 -0.131 0.058 0.00 0.00 +0.093 C ATOM 33 C LIG 1 -6.033 -1.000 -0.590 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -7.450 -0.602 -0.192 0.00 0.00 +0.037 C ATOM 35 C LIG 1 -7.702 -1.040 1.251 0.00 0.00 +0.160 C ATOM 36 O LIG 1 -7.068 -2.274 1.599 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -6.856 -3.129 0.483 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -5.824 -2.521 -0.464 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -5.517 -0.378 -1.921 0.00 0.00 +0.093 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4