REMARK Name = BDB053169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.321 -0.950 0.351 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -4.170 -1.395 -0.185 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -3.012 -0.956 0.337 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -2.950 -0.111 1.374 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 -4.113 0.294 1.907 0.00 0.00 +0.118 A ATOM 6 C LIG 1 -5.336 -0.099 1.432 0.00 0.00 +0.063 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -6.494 -1.454 -0.221 0.00 0.00 -0.298 N ATOM 8 H LIG 1 -6.234 -2.109 -0.955 0.00 0.00 +0.154 HD BRANCH 7 15 ATOM 9 C LIG 1 -10.811 2.905 -0.784 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -9.525 2.418 -0.556 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -9.266 1.037 -0.610 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -10.308 0.132 -0.900 0.00 0.00 +0.071 A ATOM 13 N LIG 1 -10.106 -1.193 -0.968 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 -8.850 -1.650 -0.744 0.00 0.00 +0.134 A ATOM 15 C LIG 1 -7.743 -0.855 -0.450 0.00 0.00 +0.051 A ATOM 16 C LIG 1 -11.580 0.643 -1.123 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -7.979 0.517 -0.384 0.00 0.00 +0.034 A ATOM 18 C LIG 1 -11.841 2.015 -1.068 0.00 0.00 +0.002 A ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 N LIG 1 -1.868 -1.448 -0.285 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -2.144 -2.063 -1.036 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 -0.496 -1.273 -0.084 0.00 0.00 +0.034 A ATOM 22 C LIG 1 0.398 -1.942 -0.934 0.00 0.00 +0.027 A ATOM 23 C LIG 1 1.782 -1.806 -0.786 0.00 0.00 +0.047 A ATOM 24 C LIG 1 2.312 -0.997 0.216 0.00 0.00 +0.121 A ATOM 25 C LIG 1 1.441 -0.327 1.069 0.00 0.00 +0.047 A ATOM 26 C LIG 1 0.052 -0.466 0.916 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 O LIG 1 3.677 -0.950 0.255 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 4.271 -0.104 1.238 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 5.792 -0.176 1.102 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 6.265 0.362 -0.258 0.00 0.00 +0.087 C BRANCH 30 31 ATOM 31 N LIG 1 7.718 0.419 -0.454 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 8.399 -0.861 -0.294 0.00 0.00 +0.084 C ATOM 33 C LIG 1 9.802 -0.790 -0.908 0.00 0.00 +0.015 C ATOM 34 C LIG 1 10.503 0.549 -0.669 0.00 0.00 +0.002 C ATOM 35 C LIG 1 9.871 1.303 0.492 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.367 1.516 0.271 0.00 0.00 +0.084 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 3 19 TORSDOF 9