REMARK Name = LIG001376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.493 -1.643 -1.006 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -1.371 -1.251 -2.366 0.00 0.00 -0.199 N ATOM 3 C LIG 1 -1.847 0.001 -2.786 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -1.602 0.056 -4.135 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -0.994 -1.149 -4.475 0.00 0.00 +0.152 A ATOM 6 BR LIG 1 -1.992 1.434 -5.335 0.00 0.00 -0.045 Br ATOM 7 N LIG 1 -2.426 0.895 -1.932 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -2.571 0.562 -0.667 0.00 0.00 +0.127 A ATOM 9 N LIG 1 -0.846 -1.952 -3.423 0.00 0.00 -0.171 NA ATOM 10 C LIG 1 -2.091 -0.777 -0.164 0.00 0.00 +0.087 A ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -3.176 1.492 0.192 0.00 0.00 -0.312 N ATOM 12 C LIG 1 -3.957 2.625 -0.378 0.00 0.00 +0.077 C ATOM 13 C LIG 1 -5.309 2.781 0.362 0.00 0.00 +0.022 C ATOM 14 C LIG 1 -5.869 1.429 0.801 0.00 0.00 +0.003 C ATOM 15 C LIG 1 -4.892 0.692 1.725 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -3.468 1.231 1.600 0.00 0.00 +0.107 C BRANCH 12 17 ATOM 17 C LIG 1 -3.161 3.939 -0.297 0.00 0.00 +0.050 C BRANCH 17 18 ATOM 18 C LIG 1 -1.870 3.951 -1.105 0.00 0.00 +0.157 C BRANCH 18 19 ATOM 19 O LIG 1 -2.131 3.709 -2.479 0.00 0.00 -0.395 OA ATOM 20 H LIG 1 -2.235 2.736 -2.563 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 11 BRANCH 1 21 ATOM 21 N LIG 1 -1.042 -2.892 -0.540 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -1.093 -2.970 0.471 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.081 -3.658 -1.069 0.00 0.00 +0.138 C BRANCH 23 27 ATOM 24 C LIG 1 3.822 -1.967 0.390 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.066 -2.854 1.176 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.864 -3.402 0.709 0.00 0.00 +0.006 A ATOM 27 C LIG 1 1.385 -3.086 -0.569 0.00 0.00 -0.030 A ATOM 28 C LIG 1 2.129 -2.208 -1.363 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.329 -1.663 -0.891 0.00 0.00 +0.010 A BRANCH 24 33 ATOM 30 C LIG 1 6.805 -0.131 4.021 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.550 -0.509 2.594 0.00 0.00 -0.047 A ATOM 32 C LIG 1 5.322 -1.060 2.210 0.00 0.00 +0.031 A ATOM 33 C LIG 1 5.090 -1.375 0.869 0.00 0.00 +0.071 A ATOM 34 N LIG 1 6.027 -1.138 -0.085 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 7.201 -0.594 0.302 0.00 0.00 +0.111 A ATOM 36 C LIG 1 7.505 -0.264 1.610 0.00 0.00 +0.023 A ENDBRANCH 24 33 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8