REMARK Name = BDB016125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.275 2.312 -0.234 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.228 1.468 -0.290 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.020 1.978 -0.231 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.237 3.354 -0.151 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.092 4.131 -0.104 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.166 3.646 -0.138 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.076 -0.278 -0.270 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.804 0.317 -0.279 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.627 1.716 -0.249 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.787 2.509 -0.221 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.061 1.935 -0.219 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.204 0.547 -0.241 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.671 -4.912 0.530 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.910 -3.768 0.091 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.781 -3.955 -0.618 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.356 -2.712 -0.858 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.194 -1.725 -0.288 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.195 -2.453 0.322 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.539 3.990 -0.102 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.610 3.683 -0.916 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.620 4.526 -0.559 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.948 4.577 -1.117 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.277 5.386 0.418 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.012 5.058 0.695 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.104 1.082 -0.281 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.758 1.307 0.472 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.786 -0.363 -0.249 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -1.424 -0.802 1.192 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -0.778 -2.211 1.308 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -0.696 -3.036 0.022 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -2.026 -3.482 -0.586 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -3.218 -2.551 -0.405 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -3.013 -1.099 -0.831 0.00 0.00 +0.025 C BRANCH 28 34 ATOM 34 O LIG 1 -2.582 -0.697 2.045 0.00 0.00 -0.387 OA ATOM 35 H LIG 1 -2.545 -1.503 2.604 0.00 0.00 +0.210 HD ENDBRANCH 28 34 BRANCH 29 36 ATOM 36 O LIG 1 -1.448 -2.952 2.340 0.00 0.00 -0.389 OA ATOM 37 H LIG 1 -0.981 -3.804 2.428 0.00 0.00 +0.210 HD ENDBRANCH 29 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7