REMARK Name = BDB026663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.306 0.187 0.644 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.817 1.105 -0.296 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.489 0.988 -0.729 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.821 1.743 -1.651 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.591 1.263 -1.694 0.00 0.00 +0.120 A ATOM 6 N LIG 1 0.453 0.158 -0.859 0.00 0.00 -0.296 N ATOM 7 C LIG 1 1.670 -0.008 -0.205 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.146 -0.942 0.730 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.475 -0.818 1.154 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.701 -0.651 -0.685 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -1.140 -0.966 0.607 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -2.291 -1.745 0.781 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.749 -2.159 2.151 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -4.253 -2.370 2.189 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -4.736 -3.215 1.033 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -4.112 -3.017 -0.170 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -4.532 -3.485 -0.963 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -5.700 -3.972 1.127 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -2.975 -2.224 -0.342 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -2.520 -1.939 -1.628 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -1.386 -1.143 -1.803 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 1 25 ATOM 22 C LIG 1 7.772 -0.823 1.762 0.00 0.00 +0.128 C ATOM 23 N LIG 1 6.367 -0.839 1.441 0.00 0.00 -0.314 N ATOM 24 H LIG 1 5.962 -1.719 1.154 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 5.719 0.329 1.088 0.00 0.00 +0.244 C ATOM 26 O LIG 1 6.256 1.431 1.097 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 C LIG 1 -0.532 1.938 -2.429 0.00 0.00 +0.110 C BRANCH 27 28 ATOM 28 C LIG 1 -1.571 2.549 -1.512 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -1.206 3.541 -0.588 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.158 4.101 0.264 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.485 3.681 0.200 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.862 2.704 -0.720 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.911 2.143 -1.575 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 4