REMARK Name = BDB016853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.557 0.628 -0.489 0.00 0.00 -0.252 N ATOM 2 C LIG 1 0.629 0.011 0.524 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.659 0.548 0.049 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.546 1.294 -1.075 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.749 1.736 -1.498 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.622 1.252 -0.618 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -1.979 0.520 0.386 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.835 1.380 -1.476 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.259 1.992 -2.444 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.537 -0.902 2.075 0.00 0.00 +0.047 C ATOM 11 C LIG 1 4.948 -0.261 0.844 0.00 0.00 -0.004 A ATOM 12 C LIG 1 5.764 0.203 -0.233 0.00 0.00 +0.164 A ATOM 13 N LIG 1 5.141 0.792 -1.316 0.00 0.00 -0.285 N ATOM 14 C LIG 1 6.164 1.140 -2.172 0.00 0.00 +0.135 A ATOM 15 N LIG 1 7.317 0.782 -1.641 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.966 1.809 -3.477 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.764 0.948 -1.423 0.00 0.00 +0.118 A ATOM 18 C LIG 1 2.949 0.514 -0.439 0.00 0.00 +0.055 A ATOM 19 N LIG 1 7.066 0.195 -0.423 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 3.607 -0.099 0.729 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.648 -1.511 0.526 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.691 -2.208 1.747 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.689 -3.605 1.772 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.641 -4.320 0.578 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.633 -6.039 0.613 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.594 -3.650 -0.641 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.596 -2.253 -0.668 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.036 1.405 -0.665 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -4.955 0.502 -1.454 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.403 0.675 -1.010 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.760 2.056 -1.052 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.023 2.836 -0.109 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.562 2.497 -0.073 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.515 -0.161 1.559 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -3.291 0.743 2.516 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.295 -1.427 1.211 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4