REMARK Name = BDB039361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.813 0.374 -0.553 0.00 0.00 +0.135 A ATOM 2 C LIG 1 2.045 0.074 0.000 0.00 0.00 +0.024 A ATOM 3 C LIG 1 3.175 0.973 0.363 0.00 0.00 +0.148 C ATOM 4 N LIG 1 4.136 0.056 0.962 0.00 0.00 -0.281 N ATOM 5 C LIG 1 3.732 -1.265 0.845 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.352 -2.275 1.115 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.375 -1.246 0.289 0.00 0.00 +0.045 A ATOM 8 C LIG 1 1.512 -2.301 0.065 0.00 0.00 +0.014 A ATOM 9 C LIG 1 0.252 -2.001 -0.459 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.113 -0.668 -0.766 0.00 0.00 +0.041 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.503 0.477 1.252 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.412 0.285 0.028 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.013 0.368 -1.133 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.753 0.128 0.293 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.355 0.036 -0.514 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.384 0.178 1.510 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.609 0.154 1.588 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.504 0.357 2.725 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.109 -0.199 2.482 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 10 20 ATOM 20 C LIG 1 -1.471 -0.413 -1.279 0.00 0.00 +0.059 A ATOM 21 N LIG 1 -1.858 -0.735 -2.588 0.00 0.00 -0.298 N ATOM 22 C LIG 1 -3.136 -0.508 -3.083 0.00 0.00 +0.066 A ATOM 23 C LIG 1 -3.111 -0.945 -4.386 0.00 0.00 +0.138 A ATOM 24 N LIG 1 -1.871 -1.428 -4.717 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 -4.099 0.074 -2.216 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -3.756 0.386 -0.946 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -1.147 -1.291 -3.627 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -2.393 0.139 -0.462 0.00 0.00 +0.032 A BRANCH 26 29 ATOM 29 C LIG 1 -4.734 1.023 0.022 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 -4.927 0.239 1.255 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -5.692 -0.997 1.025 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -7.160 -0.600 1.078 0.00 0.00 +0.017 C ATOM 33 C LIG 1 -7.191 0.700 1.869 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -5.740 0.976 2.234 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 10 20 BRANCH 1 36 ATOM 35 C LIG 1 0.809 2.032 -2.149 0.00 0.00 +0.277 C ATOM 36 O LIG 1 0.499 1.683 -0.798 0.00 0.00 -0.494 OA ENDBRANCH 1 36 TORSDOF 5